glasdegib   Click here for help

GtoPdb Ligand ID: 8201

Synonyms: Daurismo® | PF 04449913 | PF-04449913
Approved drug
glasdegib is an approved drug (FDA (2018), EMA (2020))
Compound class: Synthetic organic
Comment: Glasdegib is a potent and orally active inhibitor of the hedgehog signalling pathway, that acts as an antagonist of the class frizzled GPCR, smoothened (SMO) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 96.84
Molecular weight 374.19
XLogP 2.15
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)NC(=O)NC1CCN(C(C1)c1nc2c([nH]1)cccc2)C
Isomeric SMILES N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C
InChI InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2018), EMA (2020))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9930 glasdegib
Synonyms Click here for help
Daurismo® | PF 04449913 | PF-04449913
Database Links Click here for help
Specialist databases
GPCRdb Ligand glasdegib
Other databases
CAS Registry No. 1095173-27-5
ChEMBL Ligand CHEMBL2043437
DrugCentral Ligand 5304
GtoPdb PubChem SID 249565881
PubChem CID 25166913
Search Google for chemical match using the InChIKey SFNSLLSYNZWZQG-VQIMIIECSA-N
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UniChem Compound Search for chemical match using the InChIKey SFNSLLSYNZWZQG-VQIMIIECSA-N
UniChem Connectivity Search for chemical match using the InChIKey SFNSLLSYNZWZQG-VQIMIIECSA-N