Compound: Glasdegib
SMILES: O=C(Nc1ccc(C#N)cc1)N[C@H]2C[C@@H](N(C)CC2)c3nc4ccccc4[nH]3
InChIKey: SFNSLLSYNZWZQG-VQIMIIECSA-N
Synonyms: Glasdegib, 1095173-27-5, PF-04449913, PF 04449913, glasdegibum, 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea, K673DMO5H9, PF-4449913, CHEBI:145428, DTXSID201025881, N-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N'-(4-cyanophenyl)urea, 3-[(2R,4R)-2-(1H-1,3-benzodiazol-2-yl)-1-methylpiperidin-4-yl]-1-(4-cyanophenyl)urea, N-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYLPIPERIDIN-4-YL)-N'-(4-CYANOPHENYL)UREA, 1-((2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea, 3-((2R,4R)-2-(1H-1,3-benzodiazol-2-yl)-1-methylpiperidin-4-yl)-1-(4-cyanophenyl)urea, N-((2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl)-N'-(4-cyanophenyl)urea, N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-N'-(4-cyanophenyl)urea, RefChem:57731, L01XX63, DTXCID801510133, PF04449913, 1-((2R,4R)-2-(1H-benzo[d]iMidazol-2-yl)-1-Methylpiperidin-4-yl)-3-(4-cyanophenyl)urea, C21H22N6O, Glasdegib (PF-04449913), MFCD25976839, CHEMBL2043437, Glasdegib [USAN:INN], UNII-K673DMO5H9, Urea, N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N'-(4-cyanophenyl)-, N-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N'-(4-cyanophenyl)-urea, ; PF 04449913;, UREA, N-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-4-PIPERIDINYL)-N'-(4-CYANOPHENYL)-, PF-913, GLASDEGIB [INN], GLASDEGIB [MI], Glasdegib (USAN/INN), GLASDEGIB [USAN], GLASDEGIB [WHO-DD], PF-04449913;Glasdegib, GTPL8201, orb1300702, SCHEMBL2068480, Glasdegib(PF-04449913), SCHEMBL29359708, EX-A858, Glasdegib(PF-04449913)?, SFNSLLSYNZWZQG-VQIMIIECSA-N, GLXC-90351, BDBM50385635, EBC-26841, EOS-60832, NSC775772, AKOS027324121, CCG-268350, DB11978, NSC-775772, NCGC00378600-02, AC-35176, BS-14357, HY-16391, NS00072929, S7160, D10636, EN300-18161184, BRD-K34341643-001-01-4, Q27077810, 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-4-piperidyl]-3-(4-cyanophenyl)urea
Theoretical properties:
molecular_formula: C21H22N6O
molecular_weight: 374.4 g/mol
exact_mass: 374.18550935 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 28
topological_polar_surface_area: 96.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Glasdegib is a member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a (2R,4S)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC50 = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged 75 years), or who have medical conditions that prevent the use of standard chemotherapy. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent and a SMO receptor antagonist. It is a member of phenylureas, a nitrile, a member of benzimidazoles and a member of piperidines.", "chebi": "A member of the class of benzimidazoles that is 1<em>H</em>-benzimidazole which is substituted by a (2<i>R</i>,4<i>S</i>)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC<small><sub>50</sub></small> = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged \u2265 75 years), or who have medical conditions that prevent the use of standard chemotherapy.", "chembl": "GLASDEGIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Glasdegib, sold under the brand name Daurismo, is a medication for the treatment of newly diagnosed acute myeloid leukemia (AML) in adults older than 75 years or those who have comorbidities that preclude use of intensive induction chemotherapy. It is taken by mouth and is used in combination with low-dose cytarabine.\nThe recommended dose of glasdegib is 100 mg orally once daily on days 1 to 28 in combination with cytarabine 20 mg subcutaneously twice daily on days 1 to 10 of each 28-day cycle in the absence of unacceptable toxicity or loss of disease control.\nThe most common adverse reactions are anemia, fatigue, hemorrhage, febrile neutropenia, musculoskeletal pain, nausea, edema, thrombocytopenia, dyspnea, decreased appetite, dysgeusia, mucositis, constipation, and rash.\nIt is a small molecule inhibitor of sonic hedgehog, which is a protein overexpressed in many types of cancer. It inhibits the sonic hedgehog receptor smoothened (SMO), as do most drugs in its class."}