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

General Information of Drug (ID: DR5492)
Drug Name
Intedanib
Synonyms
Nintedanib; Vargatef; 656247-17-5; BIBF-1120; BIBF 1120; 928326-83-4; BIBF1120; Nintedanib (BIBF 1120); OFEV; UNII-G6HRD2P839; (Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate; G6HRD2P839; CHEBI:85164; 1160294-26-7; Methyl (3z)-3-{[(4-{methyl[(4-Methylpiperazin-1-Yl)acetyl]amino}phenyl)amino](Phenyl)methylidene}-2-Oxo-2,3-Dihydro-1h-Indole-6-Carboxylate
Indication Colorectal cancer [ICD11: 2B91] Approved [1]
Idiopathic pulmonary fibrosis [ICD11: ICD11: CB03] Approved [2]
Lung cancer [ICD11: ICD11: 2C25] Phase 3 [3]
Mesothelioma [ICD11: ICD11: 2C51] Phase 3 [4]
Ovarian cancer [ICD11: ICD11: 2C73] Phase 2 [5]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 539.6 Topological Polar Surface Area 102
Heavy Atom Count 40 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
135423438
ChEBI ID
CHEBI:85164
CAS Number
656247-17-5
TTD Drug ID
D09HNV
Formula
C31H33N5O4
Canonical SMILES
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
InChI
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3
InChIKey
CPMDPSXJELVGJG-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
BIBF 1202 DM002237
135461425
Unclear - Unclear 1 [6]
BIBF1053 DM002230
135837936
Unclear - Unclear 1 [6]
BIBF1053 Metabolite M7 DM018552 N. A. Unclear - Unclear 1 [6]
BIBF1053 Metabolite M8 DM018553 N. A. Unclear - Unclear 1 [6]
BIBF 1202 1-O-aclglucuronide DM018550 N. A. Unclear - Unclear 2 [6]
BIBF1053 Metabolite M4 DM018551 N. A. Unclear - Unclear 2 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010630 Intedanib BIBF 1202 Unclear - Unclear Unclear [6]
MR010632 Intedanib BIBF1053 Unclear - Unclear CYP3A4 [6]
MR010634 Intedanib BIBF1053 Metabolite M7 Unclear - Unclear Unclear [6]
MR010635 Intedanib BIBF1053 Metabolite M8 Unclear - Unclear Unclear [6]
MR010631 BIBF 1202 BIBF 1202 1-O-aclglucuronide Unclear - Unclear Unclear [6]
MR010633 BIBF1053 BIBF1053 Metabolite M4 Unclear - Unclear Unclear [6]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[6]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[7]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[7]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[7]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[7]
References
1 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5936).
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5936).
6 Clinical pharmacokinetics and pharmacodynamics of nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147.
7 Characterization of Enzymes Involved in Nintedanib Metabolism in Humans

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