Compound: Crenolanib
SMILES: O1CC(COc2cc3ncn(c3cc2)-c4nc5c(N6CCC(N)CC6)cccc5cc4)(C)C1
InChIKey: DYNHJHQFHQTFTP-UHFFFAOYSA-N
Synonyms: Crenolanib, 670220-88-9, CP-868596, ARO-002, CP-868,596, crenolanibum, ARO 002, LQF7I567TQ, CHEBI:145365, DTXSID50985873, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine, 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-1,3-benzodiazol-1-yl)quinolin-8-yl)piperidin-4-amine, 1-(2-(5-((3-METHYLOXETAN-3-YL)METHOXY)-1H-BENZIMIDAZOL-1-YL)QUINOLIN-8-YL)PIPERIDIN-4-AMINE, RefChem:579405, PDGFR Inhibitor CP-868596, DTXCID101413063, (1-(2-(5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl)quinolin-8-yl)piperidin-4-yl)amine, 4-Piperidinamine, 1-(2-(5-((3-methyl-3-oxetanyl)methoxy)-1Hbenzimidazol-1-yl)-8-quinolinyl)-, Crenolanib (CP-868596), CP 868596, 1-[2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine, Crenolanib [USAN], MFCD21609260, C26H29N5O2, 1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine, 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine, Crenolanib (USAN), 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine, CP-868, CP-868569, Crenolanib [USAN:INN], UNII-LQF7I567TQ, Plarotinib, CP868569, CP-868596 (Crenolanib), 6T2, CRENOLANIB [INN], Crenolanib,CP-868596, CRENOLANIB [WHO-DD], MLS006010956, GTPL7882, orb1305178, SCHEMBL2730601, CHEMBL2105728, CP-868596 (Crenolanib)?, SCHEMBL29350134, SCHEMBL29352568, SCHEMBL30002138, EX-A215, DYNHJHQFHQTFTP-UHFFFAOYSA-N, BDBM185149, GLXC-90124, HMS3656F19, NSC763526, NSC800079, s2730, AKOS026750597, CCG-264988, CS-0566, DB11832, FC29756, NSC-763526, NSC-800079, SB16603, SDCCGSBI-0654437.P001, NCGC00346658-01, NCGC00346658-09, 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine., AC-32071, AS-57698, CP868596, DA-62500, HY-13223, SMR004702760, SY237889, NS00069320, SW218293-2, D10102, Q5184160, BRD-K22127577-001-02-9, BRD-K22127577-001-03-7, 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]-8-quinolyl]piperidin-4-amine, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-1,3-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine, 1-{2-[5-(3-Methyl-oxetan-3-ylmethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine, 4-PIPERIDINAMINE, 1-(2-(5-((3-METHYL-3-OXETANYL)METHOXY)-1H-BENZIMIDAZOL-1-YL)-8-QUINOLINYL)-
Theoretical properties:
molecular_formula: C26H29N5O2
molecular_weight: 443.5 g/mol
exact_mass: 443.23212518 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 5
heavy_atom_count: 33
topological_polar_surface_area: 78.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Crenolanib is a member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFRalpha/beta and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a member of benzimidazoles, a member of quinolines, an aromatic ether, a member of oxetanes, an aminopiperidine and a tertiary amino compound.", "chebi": "A member of the class of benzimidazoles that is 1<em>H</em>-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFR\u03b1/\u03b2 and FLT3 (IC<small><sub>50</sub></small> of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia.", "chembl": "CRENOLANIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.", "wikipedia": "Crenolanib besylate (CP-868,596-26 or AR-868,596-26, 4-piperidinamine, 1-[2-[5-[(3-Methyl-3-oxetanyl) methoxy]-1H-benzimidazol-1-yl]- 8-quinolinyl]-, monobenzenesulfonate) is an investigational inhibitor being developed by AROG Pharmaceuticals, LLC. As of 2014, the compound was being evaluated for safety and efficacy in clinical trials for various types of cancer, including acute myeloid leukemia (AML), gastrointestinal stromal tumor (GIST), and glioma.\nCrenolanib is an orally bioavailable benzimidazole that selectively and potently inhibits signaling of wild-type and mutant isoforms of class III receptor tyrosine kinases (RTK) FLT3 (FMS-like Tyrosine Kinase 3), PDGFR \u03b1 (Platelet-Derived Growth Factor Receptor), and PDGFR \u03b2.  Unlike most RTK inhibitors, crenolanib is a type I mutant-specific inhibitor that preferentially binds to phosphorylated active kinases with the \u2018DFG in\u2019 conformation motif."}