lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(CCCCCCc1cccnc1)c1ncc(-c2ccccn2)o1
InChIKey: MLNUKPVTGKVHLU-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 32 nM (pChEMBL 7.5)
Descriptors: MW 335.41, ALogP 4.51, HBA 5, HBD 0, PSA 68.88, QED 0.42
Compound (SMILES): Cc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: UFIXUGYHLZCFPI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 348.45, ALogP 5.42, HBA 4, HBD 0, PSA 55.99, QED 0.38
Compound (SMILES): Cc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: YZPFUMWLNJIYQL-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 348.45, ALogP 5.42, HBA 4, HBD 0, PSA 55.99, QED 0.38
Compound (SMILES): Cc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: PQAKXMUPSKPASV-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 348.45, ALogP 5.42, HBA 4, HBD 0, PSA 55.99, QED 0.38
Compound (SMILES): COc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: PIVGELBUZXOJRT-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 364.45, ALogP 5.12, HBA 5, HBD 0, PSA 65.22, QED 0.37
Compound (SMILES): COc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: NWUNIVMFVYNPEW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 364.45, ALogP 5.12, HBA 5, HBD 0, PSA 65.22, QED 0.37
Compound (SMILES): COc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: DCNZTWQVUGZHKE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 364.45, ALogP 5.12, HBA 5, HBD 0, PSA 65.22, QED 0.37
Compound (SMILES): Nc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: RUDYVULGBMMUDG-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 349.43, ALogP 4.69, HBA 5, HBD 1, PSA 82.01, QED 0.34
Compound (SMILES): Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: SDGIPPVYUCFLJH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 349.43, ALogP 4.69, HBA 5, HBD 1, PSA 82.01, QED 0.34
Compound (SMILES): CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: ANJQCZVXKMNXIE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 449.55, ALogP 6.46, HBA 6, HBD 1, PSA 94.32, QED 0.28
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: ZWKZJZYJZGLUQV-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 449.55, ALogP 6.46, HBA 6, HBD 1, PSA 94.32, QED 0.28
Compound (SMILES): O=C(CCCCCCc1ccccc1F)c1ncc(-c2ccccn2)o1
InChIKey: AITFDHBROVIWGR-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 352.41, ALogP 5.25, HBA 4, HBD 0, PSA 55.99, QED 0.39
Compound (SMILES): O=C(CCCCCCc1cccc(F)c1)c1ncc(-c2ccccn2)o1
InChIKey: STSOBNCCLHCLCI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 352.41, ALogP 5.25, HBA 4, HBD 0, PSA 55.99, QED 0.39
Compound (SMILES): O=C(CCCCCCc1ccc(F)cc1)c1ncc(-c2ccccn2)o1
InChIKey: JFADYLNYNWJEAR-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 352.41, ALogP 5.25, HBA 4, HBD 0, PSA 55.99, QED 0.39
Compound (SMILES): CSc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: VFFCAWRKSCCZHW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 380.51, ALogP 5.83, HBA 5, HBD 0, PSA 55.99, QED 0.25
Compound (SMILES): CSc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: ODQCXALXZCGYKU-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 380.51, ALogP 5.83, HBA 5, HBD 0, PSA 55.99, QED 0.25
Compound (SMILES): CSc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: JPUOUZLSBPJXEV-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 380.51, ALogP 5.83, HBA 5, HBD 0, PSA 55.99, QED 0.25
Compound (SMILES): O=C(CCCCCCc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccn2)o1
InChIKey: KYPMNYDXOVUKHE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 6.5 nM (pChEMBL 8.1899995803833)
Descriptors: MW 379.42, ALogP 5.02, HBA 6, HBD 0, PSA 99.13, QED 0.21
Compound (SMILES): O=C(CCCCCCc1ccccc1C(F)(F)F)c1ncc(-c2ccccn2)o1
InChIKey: AICMHQCGMXRJIQ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 402.42, ALogP 6.13, HBA 4, HBD 0, PSA 55.99, QED 0.32
Compound (SMILES): O=C(CCCCCCc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1
InChIKey: ZPFMBPVMRCIDBP-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 402.42, ALogP 6.13, HBA 4, HBD 0, PSA 55.99, QED 0.32
Compound (SMILES): O=C(CCCCCCc1ccc(C(F)(F)F)cc1)c1ncc(-c2ccccn2)o1
InChIKey: FBSDLZAMUQFBSX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 402.42, ALogP 6.13, HBA 4, HBD 0, PSA 55.99, QED 0.32
Compound (SMILES): COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: MEJUZYNOMWOYLT-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 392.46, ALogP 4.9, HBA 6, HBD 0, PSA 82.29, QED 0.28
Compound (SMILES): COC(=O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: YYOSOHHWGJEOQD-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 392.46, ALogP 4.9, HBA 6, HBD 0, PSA 82.29, QED 0.28
Compound (SMILES): COC(=O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: DOQPJISTYSHXTI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 392.46, ALogP 4.9, HBA 6, HBD 0, PSA 82.29, QED 0.28
Compound (SMILES): O=C(CCCCCCc1ccccc1C(=O)O)c1ncc(-c2ccccn2)o1
InChIKey: AJKMVLGJYOWCGX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 378.43, ALogP 4.81, HBA 5, HBD 1, PSA 93.29, QED 0.4
Compound (SMILES): O=C(O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: SQVFAGRJQCCLCB-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 378.43, ALogP 4.81, HBA 5, HBD 1, PSA 93.29, QED 0.4
Compound (SMILES): O=C(O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: ZJRFBTKSQDZBGP-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 378.43, ALogP 4.81, HBA 5, HBD 1, PSA 93.29, QED 0.4
Compound (SMILES): O=C(CCCCCCc1ccccc1Cl)c1ncc(-c2ccccn2)o1
InChIKey: RGBFZMIPBWNGPE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 368.86, ALogP 5.77, HBA 4, HBD 0, PSA 55.99, QED 0.36
Compound (SMILES): O=C(CCCCCCc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1
InChIKey: AJTFTOJFTFVQHK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 368.86, ALogP 5.77, HBA 4, HBD 0, PSA 55.99, QED 0.36
Compound (SMILES): O=C(CCCCCCc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1
InChIKey: CTRAZMWATUGBEI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 368.86, ALogP 5.77, HBA 4, HBD 0, PSA 55.99, QED 0.36
Compound (SMILES): O=C(CCCCCCc1cccc(Cl)c1Cl)c1ncc(-c2ccccn2)o1
InChIKey: OOPSZFOFVBJXMF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 403.31, ALogP 6.42, HBA 4, HBD 0, PSA 55.99, QED 0.31
Compound (SMILES): CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: XBJWLVYGLGRDLJ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 412.51, ALogP 4.52, HBA 6, HBD 0, PSA 90.13, QED 0.36
Compound (SMILES): CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: QNJLPQOXOKUJNQ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 412.51, ALogP 4.52, HBA 6, HBD 0, PSA 90.13, QED 0.36
Compound (SMILES): CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: PMVVOJDCVSDECR-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 412.51, ALogP 4.52, HBA 6, HBD 0, PSA 90.13, QED 0.36
Compound (SMILES): CCCCCCc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: KNXFTSUMHKYJME-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 418.58, ALogP 7.24, HBA 4, HBD 0, PSA 55.99, QED 0.2
Compound (SMILES): CCCCCCc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: NVJFYDZVXWUPCQ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 418.58, ALogP 7.24, HBA 4, HBD 0, PSA 55.99, QED 0.2
Compound (SMILES): O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: GOKPISPQPCIBMS-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 384.44, ALogP 5.13, HBA 5, HBD 0, PSA 65.22, QED 0.39
Compound (SMILES): O=C(COc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: XTENTGVFRCMFOS-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 386.41, ALogP 4.58, HBA 6, HBD 0, PSA 74.45, QED 0.41
Compound (SMILES): O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1
InChIKey: ZHGXBAAKQLFDKE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 384.44, ALogP 5.13, HBA 5, HBD 0, PSA 65.22, QED 0.39
Compound (SMILES): O=C(COc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1
InChIKey: WDRMYHSVWHYIDH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 386.41, ALogP 4.58, HBA 6, HBD 0, PSA 74.45, QED 0.41
Compound (SMILES): O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: ONDWZFFDWRKXKE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 384.44, ALogP 5.13, HBA 5, HBD 0, PSA 65.22, QED 0.39
Compound (SMILES): O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: NPLDDPZWNXUZQF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 370.41, ALogP 5.34, HBA 5, HBD 0, PSA 65.22, QED 0.41
Compound (SMILES): O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: IVBGIXDVHGYNIG-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 369.42, ALogP 5.3, HBA 5, HBD 1, PSA 68.02, QED 0.45
Compound (SMILES): O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: VAYUMGOSGZBSMF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 368.44, ALogP 5.14, HBA 4, HBD 0, PSA 55.99, QED 0.42
Compound (SMILES): O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: QZIJGRWYLYQBLO-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 386.48, ALogP 5.7, HBA 5, HBD 0, PSA 55.99, QED 0.38
Compound (SMILES): O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIKey: SEFMBCXQEYFZNK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of FAAH at pH 9
Measurement: Ki = 0.75 nM (pChEMBL 9.119999885559082)
Descriptors: MW 354.41, ALogP 5.22, HBA 4, HBD 0, PSA 55.99, QED 0.45
Compound (SMILES): O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
InChIKey: HEIXLGZCGUTTNY-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 0.38 nM (pChEMBL 9.420000076293945)
Descriptors: MW 358.4, ALogP 4.62, HBA 5, HBD 0, PSA 65.22, QED 0.45
Compound (SMILES): O=C(CCCCC#Cc1ccccn1)c1ncc(-c2ccccn2)o1
InChIKey: VTVMOALQXQEBEX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 331.37, ALogP 3.93, HBA 5, HBD 0, PSA 68.88, QED 0.39
Compound (SMILES): O=C(CCCCC#Cc1cccnc1)c1ncc(-c2ccccn2)o1
InChIKey: LRRSBJKTZMVAQO-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 331.37, ALogP 3.93, HBA 5, HBD 0, PSA 68.88, QED 0.39
Compound (SMILES): O=C(CCCCC#Cc1ccncc1)c1ncc(-c2ccccn2)o1
InChIKey: WEMBCYPQIMGVNA-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 331.37, ALogP 3.93, HBA 5, HBD 0, PSA 68.88, QED 0.39
Compound (SMILES): CC(C)(C)OC(=O)Nc1cccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: LOJSTLVZFGETPI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 445.52, ALogP 5.88, HBA 6, HBD 1, PSA 94.32, QED 0.28
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: GUENLYHQAHGHTF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 445.52, ALogP 5.88, HBA 6, HBD 1, PSA 94.32, QED 0.28
Compound (SMILES): O=C(CCCCC#Cc1ccccc1F)c1ncc(-c2ccccn2)o1
InChIKey: BGLMHWMNTFYACR-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 348.38, ALogP 4.67, HBA 4, HBD 0, PSA 55.99, QED 0.37
Compound (SMILES): O=C(CCCCC#Cc1cccc(F)c1)c1ncc(-c2ccccn2)o1
InChIKey: CAKYMZGCDUJSHV-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 348.38, ALogP 4.67, HBA 4, HBD 0, PSA 55.99, QED 0.37
Compound (SMILES): O=C(CCCCC#Cc1ccc(F)cc1)c1ncc(-c2ccccn2)o1
InChIKey: BVHCIAJWTUVEHX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 348.38, ALogP 4.67, HBA 4, HBD 0, PSA 55.99, QED 0.37
Compound (SMILES): O=C(CCCCC#Cc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccn2)o1
InChIKey: HZYMDVLCTZGKOY-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 375.38, ALogP 4.44, HBA 6, HBD 0, PSA 99.13, QED 0.2
Compound (SMILES): O=C(CCCCC#Cc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccn2)o1
InChIKey: NWBFHOXUGMUSGN-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 375.38, ALogP 4.44, HBA 6, HBD 0, PSA 99.13, QED 0.2
Compound (SMILES): O=C(CCCCC#Cc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccn2)o1
InChIKey: MEVDGVIDOWUGBW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 375.38, ALogP 4.44, HBA 6, HBD 0, PSA 99.13, QED 0.2
Compound (SMILES): O=C(CCCCC#Cc1ccccc1C(F)(F)F)c1ncc(-c2ccccn2)o1
InChIKey: SXTIGWLLDKYKLA-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 398.38, ALogP 5.55, HBA 4, HBD 0, PSA 55.99, QED 0.31
Compound (SMILES): O=C(CCCCC#Cc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1
InChIKey: MFPUQGNZBWZQII-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 398.38, ALogP 5.55, HBA 4, HBD 0, PSA 55.99, QED 0.31
Compound (SMILES): O=C(CCCCC#Cc1ccc(C(F)(F)F)cc1)c1ncc(-c2ccccn2)o1
InChIKey: FRVVFKPSVCWWTK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 398.38, ALogP 5.55, HBA 4, HBD 0, PSA 55.99, QED 0.31
Compound (SMILES): COC(=O)c1ccccc1C#CCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: VPWDWMHVTBAKOG-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 388.42, ALogP 4.32, HBA 6, HBD 0, PSA 82.29, QED 0.26
Compound (SMILES): COC(=O)c1cccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIKey: NELYRIUOURRYFN-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 388.42, ALogP 4.32, HBA 6, HBD 0, PSA 82.29, QED 0.26
Compound (SMILES): COC(=O)c1ccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIKey: NPDRTIIDLMBMIC-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 388.42, ALogP 4.32, HBA 6, HBD 0, PSA 82.29, QED 0.26
Compound (SMILES): O=C(CCCCC#Cc1ccccc1Cl)c1ncc(-c2ccccn2)o1
InChIKey: JBBDNZYASTVJES-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 364.83, ALogP 5.18, HBA 4, HBD 0, PSA 55.99, QED 0.34
Compound (SMILES): O=C(CCCCC#Cc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1
InChIKey: KEBNWMOWLIFASI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 364.83, ALogP 5.18, HBA 4, HBD 0, PSA 55.99, QED 0.34
Compound (SMILES): O=C(CCCCC#Cc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1
InChIKey: VIZMXSRZYDNGKU-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 364.83, ALogP 5.18, HBA 4, HBD 0, PSA 55.99, QED 0.34
Compound (SMILES): O=C(CCCCC#Cc1cccc(Cl)c1Cl)c1ncc(-c2ccccn2)o1
InChIKey: ZEPVJRJXIBZCCM-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 399.28, ALogP 5.84, HBA 4, HBD 0, PSA 55.99, QED 0.3
Compound (SMILES): O=C(COCCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: HHCOCKSGAZJTSF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 336.39, ALogP 3.96, HBA 5, HBD 0, PSA 65.22, QED 0.44
Compound (SMILES): O=C(CSCCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: ZSJUSXPDIILCLH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 352.46, ALogP 4.68, HBA 5, HBD 0, PSA 55.99, QED 0.41
Compound (SMILES): O=C(C[S+]([O-])CCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: GITGCQFUAIHBAT-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 368.46, ALogP 3.69, HBA 5, HBD 0, PSA 79.05, QED 0.33
Compound (SMILES): O=C(CS(=O)(=O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: WAFLPSZQYRJHGG-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 384.46, ALogP 3.36, HBA 6, HBD 0, PSA 90.13, QED 0.42
Compound (SMILES): O=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: NHRHBUMFOMJBTE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 336.39, ALogP 3.96, HBA 5, HBD 0, PSA 65.22, QED 0.44
Compound (SMILES): CN(CCCc1ccccc1)CCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: LGDLBHZNLHEDMX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 349.43, ALogP 3.87, HBA 5, HBD 0, PSA 59.23, QED 0.55
Compound (SMILES): O=C(CCCOCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: WNHIDPJHYZFKBE-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 336.39, ALogP 3.96, HBA 5, HBD 0, PSA 65.22, QED 0.44
Compound (SMILES): CN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1
InChIKey: HLSBHAXEDUSQLL-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 349.43, ALogP 3.87, HBA 5, HBD 0, PSA 59.23, QED 0.55
Compound (SMILES): O=C(CCCCOCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: YYMQHFDGNJKEDZ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 336.39, ALogP 4.31, HBA 5, HBD 0, PSA 65.22, QED 0.43
Compound (SMILES): CN(CCCCC(=O)c1ncc(-c2ccccn2)o1)Cc1ccccc1
InChIKey: KMWBCGYYQBQMCP-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 349.43, ALogP 4.22, HBA 5, HBD 0, PSA 59.23, QED 0.43
Compound (SMILES): O=C(CCCCSCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: NLMGKBWZZZUXAF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 352.46, ALogP 5.02, HBA 5, HBD 0, PSA 55.99, QED 0.4
Compound (SMILES): O=C(CCCC[S+]([O-])Cc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: YBEUSUFDLFUBLN-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 368.46, ALogP 4.04, HBA 5, HBD 0, PSA 79.05, QED 0.32
Compound (SMILES): O=C(CCCCS(=O)(=O)Cc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: IPHUIJQTUFWQFI-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 384.46, ALogP 3.7, HBA 6, HBD 0, PSA 90.13, QED 0.41
Compound (SMILES): O=C(CCCCCOc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: CAMPTKPQABGEIA-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 336.39, ALogP 4.56, HBA 5, HBD 0, PSA 65.22, QED 0.42
Compound (SMILES): CN(CCCCCC(=O)c1ncc(-c2ccccn2)o1)c1ccccc1
InChIKey: ORABKRHKEYNKES-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 349.43, ALogP 4.62, HBA 5, HBD 0, PSA 59.23, QED 0.42
Compound (SMILES): O=C(CCCCCSc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: QWKHLSRRDRKRHH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 352.46, ALogP 5.27, HBA 5, HBD 0, PSA 55.99, QED 0.3
Compound (SMILES): O=C(CCCCC[S+]([O-])c1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: WPCBMXLUQSPZRO-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 368.46, ALogP 4.29, HBA 5, HBD 0, PSA 79.05, QED 0.32
Compound (SMILES): O=C(CCCCCS(=O)(=O)c1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: YXAVBXJVZMXIAO-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 384.46, ALogP 3.95, HBA 6, HBD 0, PSA 90.13, QED 0.41
Compound (SMILES): O=C(CCC(=O)c1ncc(-c2ccccn2)o1)NCCc1ccccc1
InChIKey: CJISYAZGALTYFL-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 349.39, ALogP 3.06, HBA 5, HBD 1, PSA 85.09, QED 0.63
Compound (SMILES): O=C(CCCC(=O)c1ncc(-c2ccccn2)o1)NCc1ccccc1
InChIKey: BLBRWWCYYWNYBA-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 349.39, ALogP 3.41, HBA 5, HBD 1, PSA 85.09, QED 0.63
Compound (SMILES): O=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1
InChIKey: IJANKEVONHQJMK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 349.39, ALogP 4.12, HBA 5, HBD 1, PSA 85.09, QED 0.49
Compound (SMILES): O=C(c1ncc(-c2ccccn2)o1)C(O)CCCCCc1ccccc1
InChIKey: YYGNRTYZROVQPW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 350.42, ALogP 4.08, HBA 5, HBD 1, PSA 76.22, QED 0.46
Compound (SMILES): O=C(CC(O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: WINBMHQQBYBMDV-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 350.42, ALogP 4.08, HBA 5, HBD 1, PSA 76.22, QED 0.46
Compound (SMILES): O=C(CCC(O)CCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: VFQRQRDNDMWSGP-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 350.42, ALogP 4.08, HBA 5, HBD 1, PSA 76.22, QED 0.59
Compound (SMILES): O=C(CCCC(O)CCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: GYMZRWOLXIOFJM-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 350.42, ALogP 4.08, HBA 5, HBD 1, PSA 76.22, QED 0.59
Compound (SMILES): O=C(CCCCC(O)Cc1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: WZLKAAQFNVCYKK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 350.42, ALogP 4.08, HBA 5, HBD 1, PSA 76.22, QED 0.46
Compound (SMILES): O=C(CCCCCC(O)c1ccccc1)c1ncc(-c2ccccn2)o1
InChIKey: GTNCYKSWIJTPPW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 350.42, ALogP 4.6, HBA 5, HBD 1, PSA 76.22, QED 0.45
Compound (SMILES): COC(=O)CCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: XCQLQCMUFOUXNW-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 260.25, ALogP 1.87, HBA 6, HBD 0, PSA 82.29, QED 0.6
Compound (SMILES): COC(=O)CCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: RKOGTMPBDGPBFH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 274.28, ALogP 2.26, HBA 6, HBD 0, PSA 82.29, QED 0.59
Compound (SMILES): COC(=O)CCCCC(=O)c1ncc(-c2ccccn2)o1
InChIKey: OCKNDQDBYBWHSB-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 1800 nM (pChEMBL 5.75)
Descriptors: MW 288.3, ALogP 2.65, HBA 6, HBD 0, PSA 82.29, QED 0.44
Compound (SMILES): O=C(c1ncc(-c2ccccn2)o1)C1CC1
InChIKey: HJVWHQIIAWBCFX-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 214.22, ALogP 2.33, HBA 4, HBD 0, PSA 55.99, QED 0.74
Compound (SMILES): O=C(c1ncc(-c2ccccn2)o1)C1CCCC1
InChIKey: CZXHLRXAHDZQJF-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 242.28, ALogP 3.11, HBA 4, HBD 0, PSA 55.99, QED 0.78
Compound (SMILES): O=C(CCl)c1ncc(-c2ccccn2)o1
InChIKey: MKVLXIACPLGLLP-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 222.63, ALogP 2.16, HBA 4, HBD 0, PSA 55.99, QED 0.59
Compound (SMILES): O=C(CCCCc1ccccc1)CC(=O)c1ncc(-c2ccccn2)o1
InChIKey: NJVXRGCJANZJJK-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 348.4, ALogP 4.29, HBA 5, HBD 0, PSA 73.06, QED 0.33
Compound (SMILES): OC(CCCCCc1ccccc1)C(O)c1ncc(-c2ccccn2)o1
InChIKey: XZUPDMGYFHCFFH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 352.43, ALogP 3.93, HBA 5, HBD 2, PSA 79.38, QED 0.57
Compound (SMILES): CN(CCCCc1ccccc1)CC(O)c1ncc(-c2ccccn2)o1
InChIKey: DTLJRCZJLMKFGO-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97612
Assay: Inhibition of rat recombinant FAAH expressed in Escherichia coli
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 351.45, ALogP 3.72, HBA 5, HBD 1, PSA 62.39, QED 0.6
Compound (SMILES): CC(C)(C)c1ccc(/C=C2\CCCN(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIKey: QYVUWSQNQVOUOT-OBGWFSINSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 377.48, ALogP 4.97, HBA 3, HBD 0, PSA 38.77, QED 0.69
Compound (SMILES): CC(C)(C)c1ccc(Cc2cccn(-c3ccc4c(c3)OCCO4)c2=O)cc1
InChIKey: QFUOBTFYMHPBAO-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 375.47, ALogP 4.5, HBA 4, HBD 0, PSA 40.46, QED 0.68
Compound (SMILES): CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIKey: ONLUXUAFSOSYAG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 359.47, ALogP 6.17, HBA 3, HBD 1, PSA 30.49, QED 0.61
Compound (SMILES): CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIKey: IMSVQMAZICXWQC-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 360.46, ALogP 5.56, HBA 4, HBD 1, PSA 43.38, QED 0.66
Compound (SMILES): CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIKey: BEASIIHSNRSTND-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 360.46, ALogP 5.56, HBA 4, HBD 1, PSA 43.38, QED 0.66
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIKey: DNYGDIASPUKZHD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 360.46, ALogP 5.56, HBA 4, HBD 1, PSA 43.38, QED 0.66
Compound (SMILES): CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIKey: BAFLKKRJUAFLJG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 360.46, ALogP 5.56, HBA 4, HBD 1, PSA 43.38, QED 0.66
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1
InChIKey: VLTDPHWBZLQDBR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIKey: CCSHHOSWJAFQQA-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2nccc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIKey: BWPOBKXLTHYPNE-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2cnnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIKey: BFCQRTUYCVYKHS-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)cnn2)cc1
InChIKey: LOYOSFWQVCSZAX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIKey: BJVNWCGYGFLIFA-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 361.45, ALogP 4.96, HBA 5, HBD 1, PSA 56.27, QED 0.71
Compound (SMILES): CC(C)(C)c1ccc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIKey: BRWGMRBEFSENTP-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 362.43, ALogP 4.35, HBA 6, HBD 1, PSA 69.16, QED 0.75
Compound (SMILES): CN(c1ccc2c(c1)OCCO2)c1cc(-c2ccc(C(C)(C)C)cc2)ncn1
InChIKey: MVDVGIXKGPAUIJ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 375.47, ALogP 4.98, HBA 5, HBD 0, PSA 47.48, QED 0.65
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Oc3ccc4c(c3)OCCO4)ncn2)cc1
InChIKey: YLZLCNQKKZEUTQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 362.43, ALogP 5, HBA 5, HBD 0, PSA 53.47, QED 0.66
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Sc3ccc4c(c3)OCCO4)ncn2)cc1
InChIKey: FUTSXZNRPJHBQH-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 > 4000 nM (pChEMBL 5.3979997634887695)
Descriptors: MW 378.5, ALogP 5.36, HBA 5, HBD 0, PSA 44.24, QED 0.57
Compound (SMILES): CC(C)(C)c1ccc(-c2cc(Cc3ccc4c(c3)OCCO4)ncn2)cc1
InChIKey: JXVJBWRJQBMXHZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 914 nM (pChEMBL 6.039999961853027)
Descriptors: MW 360.46, ALogP 4.8, HBA 4, HBD 0, PSA 44.24, QED 0.67
Compound (SMILES): FC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1
InChIKey: KOXDEKQHVGXXDD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O35433
Assay: Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 373.33, ALogP 4.68, HBA 5, HBD 1, PSA 56.27, QED 0.72