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

General Information of Drug (ID: DR4643)
Drug Name
TAK-906
Synonyms
Trazpiroben; UNII-FH87H57Q4Y; FH87H57Q4Y; triazaspiro[4.5]decan-3-yl]methyl}benzoic acid; 1352993-39-5; 3-{[1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-; Trazpiroben [INN]; Trazpiroben [USAN]; SCHEMBL318454; WHO 11123; (3-((1-Cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8 triazaspiro(4.5) decan-3-yl)methyl)benzoic acid; 3-[[1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid; Benzoic acid, 3-((1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro(4.5)dec-3-yl)methyl)-
Indication Gastroparesis [ICD11: DA41] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 517.7 Topological Polar Surface Area 81.2
Heavy Atom Count 38 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
54768846
CAS Number
1352993-39-5
TTD Drug ID
DD5VO3
Formula
C31H39N3O4
Canonical SMILES
C1CCC(CC1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)C4=CC=CC=C4)CC5=CC(=CC=C5)C(=O)O
InChI
InChI=1S/C31H39N3O4/c35-28(25-10-3-1-4-11-25)15-8-18-32-19-16-31(17-20-32)30(38)33(23-34(31)27-13-5-2-6-14-27)22-24-9-7-12-26(21-24)29(36)37/h1,3-4,7,9-12,21,27H,2,5-6,8,13-20,22-23H2,(H,36,37)
InChIKey
BDXJYAAYLZTLEK-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
TAK-906 metabolite M23 DM016739
148790143
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008328 TAK-906 TAK-906 metabolite M23 Unclear - Unclear Unclear [2]
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]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
⏷ Show the Full List of 7  DME(s)
References
1 ClinicalTrials.gov (NCT03544229) A Study to Evaluate the Efficacy and Safety of TAK-906 in Adult Participants With Symptomatic Idiopathic or Diabetic Gastroparesis. U.S. National Institutes of Health.
2 Evaluation of the drug-drug interaction potential for trazpiroben (TAK-906), a D(2)/D(3) receptor antagonist for gastroparesis, towards cytochrome P450s and transporters

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