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

General Information of Drug (ID: DR3099)
Drug Name
GDC-0152
Synonyms GDC 0152; GDC0152
Indication Obesity [ICD11: 5B80-5B81] Phase 1 [1]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Discontinued in Phase 1 [2]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 498.6 Topological Polar Surface Area 145
Heavy Atom Count 35 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
46940575
CAS Number
873652-48-3
TTD Drug ID
D07CLV
Formula
C25H34N6O3S
Canonical SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC
InChI
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
InChIKey
WZRFLSDVFPIXOV-LRQRDZAKSA-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
GDC-0152 M13 DM017987 N. A. Unclear - Unclear 1 [3]
GDC-0152 M14 DM017988 N. A. Unclear - Unclear 1 [3]
GDC-0152 M28 DM015368
2747165
Unclear - Unclear 1 [3]
GDC-0152 M34 DM015345
736848
Unclear - Unclear 1 [3]
GDC-0152 M24 DM014814
464
Unclear - Unclear 2 [3]
GDC-0152 M35 DM015929
15701269
Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009756 GDC-0152 GDC-0152 M28 Unclear - Unclear Unclear [3]
MR009758 GDC-0152 GDC-0152 M34 Unclear - Unclear Unclear [3]
MR009760 GDC-0152 GDC-0152 M13 Unclear - Unclear Unclear [3]
MR009761 GDC-0152 GDC-0152 M14 Unclear - Unclear Unclear [3]
MR009757 GDC-0152 M28 GDC-0152 M24 Unclear - Unclear Unclear [3]
MR009759 GDC-0152 M34 GDC-0152 M35 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 6 MR(s)
References
1 Discovery of a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins and clinical candidate for the treatment of cancer (GDC-0152). J Med Chem. 2012 May 10;55(9):4101-13.
2 Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50.
3 Evaluation of metabolism and disposition of GDC-0152 in rats using 14C labeling strategy at two different positions: a novel formation of hippuric acid from 4-phenyl-5-amino-1,2,3-thiadiazole

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