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

General Information of Drug (ID: DR3541)
Drug Name
TAS-120
Synonyms .
Indication Hepatocellular carcinoma [ICD11: 2C12] Phase 3 [1]
Multiple myeloma [ICD11: ICD11: 2A83] Phase 1/2 [2]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1/2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 418.4 Topological Polar Surface Area 108
Heavy Atom Count 31 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
71621331
CAS Number
1448169-71-8
TTD Drug ID
D01ZLU
Formula
C22H22N6O3
Canonical SMILES
COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OC
InChI
InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
InChIKey
KEIPNCCJPRMIAX-HNNXBMFYSA-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
Desmethyl futibatinib DM019022 N. A. Unclear - Unclear 1 [4]
Monohydroxy futibatinib DM019033 N. A. Unclear - Unclear 1 [4]
Possible intermediate metabolite DM019029 N. A. Oxidation - Oxidation 1 [4]
TAS-120 Metabolite F18 DM019018 N. A. Conjugation - Glutathione conjugation 1 [4]
Cysteine-conjugated monohydroxyl futibatinib DM019036 N. A. Unclear - Unclear 2 [4]
Dihydrodiol-futibantinib DM019030 N. A. Other reaction - Hydration 2 [4]
Glucuronide of Desmethyl futibatinib DM019025 N. A. Conjugation - Glucuronidation 2 [4]
Reduction of Desmethyl futibatinib DM019023 N. A. Unclear - Unclear 2 [4]
Sulfate Desmethyl futibatinib DM019024 N. A. Conjugation - Sulfation 2 [4]
Sulfate Monohydroxy futibatinib DM019035 N. A. Conjugation - Sulfation 2 [4]
TAS-120 Metabolite F14 DM019031 N. A. Unclear - Unclear 2 [4]
TAS-120 Metabolite P1 DM019034 N. A. Conjugation - Glucuronidation 2 [4]
TAS-120 Metabolite P7 DM019019 N. A. Unclear - Unclear 2 [4]
Glucuronide of monohydroxyl Dihydrodiol-futibantinib DM019032 N. A. Conjugation - Glucuronidation 3 [4]
Reduction hydrolysed desmethyl futibatinib DM019027 N. A. Other reaction - Hydration 3 [4]
Reduction of bisdesmethyl futibatinib DM019026 N. A. Oxidation - O-demethylation 3 [4]
TAS-120 Metabolite P5 DM019020 N. A. Unclear - Unclear 3 [4]
TAS-120 Metabolite F20 DM019021 N. A. Unclear - Unclear 4 [4]
TAS-120 Metabolite F5 DM019028 N. A. Oxidation - Oxidation 4 [4]
⏷ Show the Full List of 19  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011423 TAS-120 TAS-120 Metabolite F18 Conjugation - Glutathione conjugation CYP [4]
MR011427 TAS-120 Desmethyl futibatinib Unclear - Unclear Unclear [4]
MR011434 TAS-120 Possible intermediate metabolite Oxidation - Oxidation Unclear [4]
MR011438 TAS-120 Monohydroxy futibatinib Unclear - Unclear Unclear [4]
MR011428 Desmethyl futibatinib Reduction of Desmethyl futibatinib Unclear - Unclear Unclear [4]
MR011429 Desmethyl futibatinib Sulfate Desmethyl futibatinib Conjugation - Sulfation Unclear [4]
MR011430 Desmethyl futibatinib Glucuronide of Desmethyl futibatinib Conjugation - Glucuronidation Unclear [4]
MR011439 Monohydroxy futibatinib TAS-120 Metabolite P1 Conjugation - Glucuronidation Unclear [4]
MR011440 Monohydroxy futibatinib Sulfate Monohydroxy futibatinib Conjugation - Sulfation Unclear [4]
MR011441 Monohydroxy futibatinib Cysteine-conjugated monohydroxyl futibatinib Unclear - Unclear Unclear [4]
MR011435 Possible intermediate metabolite Dihydrodiol-futibantinib Other reaction - Hydration Unclear [4]
MR011436 Possible intermediate metabolite TAS-120 Metabolite F14 Unclear - Unclear Unclear [4]
MR011424 TAS-120 Metabolite F18 TAS-120 Metabolite P7 Unclear - Unclear Unclear [4]
MR011437 Dihydrodiol-futibantinib Glucuronide of monohydroxyl Dihydrodiol-futibantinib Conjugation - Glucuronidation Unclear [4]
MR011431 Reduction of Desmethyl futibatinib Reduction of bisdesmethyl futibatinib Oxidation - O-demethylation Unclear [4]
MR011432 Reduction of Desmethyl futibatinib Reduction hydrolysed desmethyl futibatinib Other reaction - Hydration Unclear [4]
MR011425 TAS-120 Metabolite P7 TAS-120 Metabolite P5 Unclear - Unclear Unclear [4]
MR011433 Reduction of bisdesmethyl futibatinib TAS-120 Metabolite F5 Oxidation - Oxidation Unclear [4]
MR011426 TAS-120 Metabolite P5 TAS-120 Metabolite F20 Unclear - Unclear Unclear [4]
⏷ Show the Full List of 19 MR(s)
References
1 ClinicalTrials.gov (NCT04093362) Futibatinib Versus Gemcitabine-Cisplatin Chemotherapy as First-Line Treatment of Patients With Advanced Cholangiocarcinoma Harboring FGFR2 Gene Rearrangements (FOENIX-CCA3). U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT02052778) A Dose Finding Study Followed by a Safety and Efficacy Study in Patients With Advanced Solid Tumors or Multiple Myeloma With FGF/FGFR-Related Abnormalities. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Evaluation of the Mass Balance and Metabolic Profile of Futibatinib in Healthy Participants

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