Glasdegib
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea
Molecular Identity
Glasdegib
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea
PubChem CID: 25166913
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.
2D Structure
Properties
C21H22N6O
Molecular Formula
374.40
Molecular Weight
g/mol
374.1855
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
96.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
595
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Glasdegib1095173-27-5PF-04449913PF 04449913glasdegibum1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)ureaK673DMO5H9PF-4449913CHEBI:145428DTXSID2010258813-[(2R,4R)-2-(1H-1,3-benzodiazol-2-yl)-1-methylpiperidin-4-yl]-1-(4-cyanophenyl)ureaN-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYLPIPERIDIN-4-YL)-N'-(4-CYANOPHENYL)UREAN-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N'-(4-cyanophenyl)urea1-((2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea3-((2R,4R)-2-(1H-1,3-benzodiazol-2-yl)-1-methylpiperidin-4-yl)-1-(4-cyanophenyl)urea
Data from PubChem (NCBI)
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