Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0774)
Drug Name
Glasdegib
Synonyms
Daurismo; Glasdegib; Glasdegib (PF-04449913); Glasdegib (USAN/INN); Glasdegib [USAN:INN]; K673DMO5H9; PF 04449913; PF-04449913; PF-04449913;Glasdegib; PF-4449913; SCHEMBL2068480; glasdegib-pf-04449913; 1-((2R,4R)-2-(1H-benzo[d]iMidazol-2-yl)-1-Methylpiperidin-4-yl)-3-(4-cyanophenyl)urea; 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea; 1095173-27-5; C21H22N6O; CHEMBL2043437; GTPL8201; UNII-K673DMO5H9; Urea, N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N'-(4-cyanophenyl)-
Indication Acute myeloid leukaemia [ICD11: 2A60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 374.4 Topological Polar Surface Area 96.8
Heavy Atom Count 28 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
25166913
PubChem SID
57272690 ; 85015477 ; 137314061 ; 160674101 ; 160864718 ; 172650747 ; 172919367 ; 185992952 ; 198988649 ; 210275502 ; 210281150 ; 223218476 ; 224234750 ; 228215445 ; 243875074 ; 249565881 ; 249714988 ; 251910427 ; 252211783 ; 252443313 ; 252472990
ChEBI ID
CHEBI:145428
CAS Number
1095173-27-5
TTD Drug ID
D0S5LO
Formula
C21H22N6O
Canonical SMILES
CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N
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
InChIKey
SFNSLLSYNZWZQG-VQIMIIECSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Glasdegib metabolite M1,9 DM002120 N. A. Oxidation - Oxidation 1 [2]
Glasdegib metabolite M11 DM002123 N. A. Oxidation - Oxidation 1 [2]
Glasdegib metabolite M2 DM002125
155804785
Unclear 1 [2]
Glasdegib metabolite M3 DM002116
155804723
Oxidation - Demethylation 1 [2]
Glasdegib metabolite M4 DM002124
155884436
Oxidation - Oxidation 1 [2]
Glasdegib metabolite M6 DM002122 N. A. Oxidation - Glucuronidation; Oxidation 1 [2]
Glasdegib metabolite M8 DM002119 N. A. Conjugation - Glucuronidation 1 [2]
Glasdegib metabolite M10 DM002118 N. A. Oxidation - Oxidation 2 [3]
Glasdegib metabolite M5 DM002121 N. A. Conjugation - Glucuronidation 2 [2]
Glasdegib metabolite M7 DM002117 N. A. Conjugation - Glucuronidation 2 [2]
Glasdegib metabolite M7 DM002117 N. A. Conjugation - Glucuronidation 2 [2] , [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001132 Glasdegib Glasdegib metabolite M3 Oxidation - Demethylation Unclear [2]
MR001133 Glasdegib Glasdegib metabolite M8 Conjugation - Glucuronidation Unclear [2]
MR001134 Glasdegib Glasdegib metabolite M1,9 Oxidation - Oxidation Unclear [2]
MR001135 Glasdegib Glasdegib metabolite M6 Oxidation - Glucuronidation; Oxidation Unclear [2]
MR001136 Glasdegib Glasdegib metabolite M11 Oxidation - Oxidation Unclear [2]
MR001137 Glasdegib Glasdegib metabolite M4 Oxidation - Oxidation Unclear [2]
MR001138 Glasdegib Glasdegib metabolite M2 Unclear Unclear [2]
MR001131 Glasdegib metabolite M1,9 Glasdegib metabolite M5 Conjugation - Glucuronidation Unclear [2]
MR001128 Glasdegib metabolite M3 Glasdegib metabolite M7 Conjugation - Glucuronidation Unclear [2], [3]
MR001129 Glasdegib metabolite M3 Glasdegib metabolite M10 Oxidation - Oxidation Unclear [3]
MR001130 Glasdegib metabolite M8 Glasdegib metabolite M7 Conjugation - Glucuronidation Unclear [2]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 Glasdegib was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolism, excretion and pharmacokinetics of [14C]glasdegib (PF-04449913) in healthy volunteers following oral administration. Xenobiotica. 2017 Dec;47(12):1064-1076.
3 DrugBank(Pharmacology-Metabolism)Glasdegib

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