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

General Information of Drug (ID: DR1824)
Drug Name
GSK-1278863
Synonyms
Daprodustat; Daprodustat (GSK1278863); Daprodustat (JAN/USAN/INN); Daprodustat [USAN:INN]; Daprodustat(GSK1278863); JVR38ZM64B; ZINC231226004; 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid; 960539-70-2; AKOS027439964; BCP16766; CHEMBL3544988; EX-A1121; GSK 1278863; GSK-1278863; GSK1278863; GTPL8455; KS-00000M8Z; MFCD29924726; N-((1,3-Dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycine; UNII-JVR38ZM64B; s8171
Indication Asperger syndrome [ICD11: 6A02] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 393.4 Topological Polar Surface Area 124
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
91617630
PubChem SID
249492203 ; 249807670 ; 252166665
CAS Number
960539-70-2
TTD Drug ID
D0F6JC
Formula
C19H27N3O6
Canonical SMILES
C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O
InChI
1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKey
RUEYEZADQJCKGV-UHFFFAOYSA-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
GSK-1278863 M13 DM006880 N. A. Unclear 1 [3]
GSK-1278863 M2 DM006874 N. A. Unclear 1 [3]
GSK-1278863 M3 DM006875
132533111
Unclear 1 [3]
GSK-1278863 M4 DM006876 N. A. Unclear 1 [3]
GSK-1278863 M5 DM006877
132533123
Unclear 1 [3]
GSK-1278863 M6 DM006878 N. A. Unclear 1 [3]
GSK-1278863 M7 DM006879 N. A. Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007471 GSK-1278863 Unclear Unclear Unclear [2]
MR007472 GSK-1278863 GSK-1278863 M2 Unclear Unclear [3]
MR007473 GSK-1278863 GSK-1278863 M3 Unclear Unclear [3]
MR007474 GSK-1278863 GSK-1278863 M4 Unclear Unclear [3]
MR007475 GSK-1278863 GSK-1278863 M5 Unclear Unclear [3]
MR007476 GSK-1278863 GSK-1278863 M6 Unclear Unclear [3]
MR007477 GSK-1278863 GSK-1278863 M7 Unclear Unclear [3]
MR007478 GSK-1278863 GSK-1278863 M13 Unclear Unclear [3]
⏷ Show the Full List of 8 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]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800030089)
2 Pharmacokinetics, pharmacodynamics and safety of single, oral doses of GSK1278863, a novel HIF-prolyl hydroxylase inhibitor, in healthy Japanese and Caucasian subjects. Drug Metab Pharmacokinet. 2015 Dec;30(6):410-8.
3 Overcoming bioanalytical challenges associated with the separation and quantitation of GSK1278863, a HIF-prolyl hydroxylase inhibitor, and its 14 stereoisomeric metabolites

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.