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

General Information of Drug (ID: DR1815)
Drug Name
ANW-60941
Synonyms
Dovitinib Lactate Hydrate; Dovitinib lactate; Dovitinib lactate (USAN); Dovitinib lactate [USAN]; Dovitinib lactate hydrate (JAN); Dovitinib lactate monohydrate; Dovitinib lactate(TKI258); SCHEMBL253994; TKI 258; TKI258; dovitinib-tki258-lactate; 4-Amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one 2-hydroxy; 4-Amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one 2-hydroxypropanoate hydrate; 915769-50-5; AN-564; ANW-60941; CTK8B8638; EX-A1642
Indication Uterine cancer [ICD11: 2C76] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 500.5 Topological Polar Surface Area 149
Heavy Atom Count 36 Rotatable Bond Count 3
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
135611162
CAS Number
915769-50-5
TTD Drug ID
D07OZR
Formula
C24H29FN6O5
Canonical SMILES
CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.O
InChI
1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2
InChIKey
QDPVYZNVVQQULH-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
ANW-60941 M10 DM006720
143334550
Unclear 1 [3]
ANW-60941 M26 DM006722 N. A. Conjugation - Glucuronidation 1 [3]
ANW-60941 M6 DM006717
167713312
Unclear 1 [3]
ANW-60941 M8 DM006723 N. A. Conjugation - Methylationn 1 [3]
ANW-60941 M9 DM006724 N. A. Oxidation - Oxidationn 1 [3]
ANW-60941 M2 DM006721 N. A. Conjugation - Sulfation 2 [3]
ANW-60941 M4 DM006719 N. A. Conjugation - Glucuronidation 2 [3]
ANW-60941 M5 DM006718 N. A. Conjugation - Sulfation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007254 ANW-60941 ANW-60941 M6 Unclear Unclear [3]
MR007257 ANW-60941 ANW-60941 M10 Unclear Unclear [3]
MR007259 ANW-60941 ANW-60941 M26 Conjugation - Glucuronidation Unclear [3]
MR007260 ANW-60941 ANW-60941 M8 Conjugation - Methylationn Unclear [3]
MR007261 ANW-60941 ANW-60941 M9 Oxidation - Oxidationn Unclear [3]
MR007258 ANW-60941 M10 ANW-60941 M2 Conjugation - Sulfation Unclear [3]
MR007255 ANW-60941 M6 ANW-60941 M5 Conjugation - Sulfation Unclear [3]
MR007256 ANW-60941 M6 ANW-60941 M4 Conjugation - Glucuronidation 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 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Phase 2 study of dovitinib in patients with metastatic or unresectable adenoid cystic carcinoma. Cancer. 2015 Aug 1;121(15):2612-7.
2 A drug-drug interaction study to assess the effect of the CYP1A2 inhibitor fluvoxamine on the pharmacokinetics of dovitinib (TKI258) in patients with advanced solid tumors. Cancer Chemother Pharmacol. 2018 Jan;81(1):73-80.
3 Disposition and metabolism of 14C-dovitinib (TKI258), an inhibitor of FGFR and VEGFR, after oral administration in patients with advanced solid tumors

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