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

General Information of Drug (ID: DR3406)
Drug Name
Tasquinimod
Synonyms TASQ
Indication Prostate cancer [ICD11: 2C82] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 406.4 Topological Polar Surface Area 70.1
Heavy Atom Count 29 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
54682876
CAS Number
254964-60-8
TTD Drug ID
D02JMU
Formula
C20H17F3N2O4
Canonical SMILES
CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
InChIKey
ONDYALNGTUAJDX-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
Carboxamide-N-demethylation DM016182
56960270
Unclear - Unclear 1 [2]
Quinoline hydroxylation DM016176
54682876
Unclear - Unclear 1 [2]
Quinoline-N-demethylation DM016301
71154989
Unclear - Unclear 1 [2]
Quinoline-O-demethylation DM016302
71154993
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011394 Tasquinimod Quinoline hydroxylation Unclear - Unclear CYP3A4 [2]
MR011395 Tasquinimod Quinoline-N-demethylation Unclear - Unclear CYP3A4 [2]
MR011396 Tasquinimod Carboxamide-N-demethylation Unclear - Unclear CYP3A4 [2]
MR011397 Tasquinimod Quinoline-O-demethylation Unclear - Unclear CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 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: 8098).
2 Anti-cancer potency of tasquinimod is enhanced via albumin-binding facilitating increased uptake in the tumor microenvironment

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