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

General Information of Drug (ID: DR1843)
Drug Name
SHR-1020
Synonyms
Famitinib; Famitinib, (Z); SB16932; SCHEMBL137251; SHR 1020; SHR-1020; SHR1020; compound 9 [PMID: 21028894]; 1044040-56-3; 5-(2-diethylaminoethyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[4,5-c]pyridin-4-one; 768FW21J3L; 945380-27-8; BDBM50331023; CHEMBL1278146; DB11741; GTPL7886; UNII-768FW21J3L
Indication Breast cancer [ICD11: 2C60] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 410.5 Topological Polar Surface Area 68.4
Heavy Atom Count 30 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
16662431
PubChem SID
26522442 ; 30503958 ; 54220869 ; 123101636 ; 123110138 ; 138921816 ; 140438164 ; 163643110 ; 165241314 ; 180419447 ; 198954287 ; 226504741 ; 249565577
CAS Number
945380-27-8
TTD Drug ID
D0Z6MT
Formula
C23H27FN4O2
Canonical SMILES
CCN(CC)CCN1CCC2=C(C1=O)C(=C(N2)C=C3C4=C(C=CC(=C4)F)NC3=O)C
InChI
1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
InChIKey
GKEYKDOLBLYGRB-LGMDPLHJSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
SHR-1020 M1 PDM007487 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
SHR-1020 M2 PDM007488 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
SHR-1020 M3 PDM007489 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[1]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[1]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[1]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[1]
References
1 Metabolism and bioactivation of famitinib, a novel inhibitor of receptor tyrosine kinase, in cancer patients. Br J Pharmacol. 2013 Apr;168(7):1687-706.

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