| General Information of Drug (ID:
DR3331) |
| Drug Name |
TAK-063
|
| Synonyms |
. |
| Indication |
Schizophrenia
[ICD11: 6A20]
|
Phase 2
|
[1]
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| Pharmaceutical Properties |
Molecular Weight |
428.4 |
Topological Polar Surface Area |
77.5 |
| Heavy Atom Count |
32 |
Rotatable Bond Count |
5 |
| Hydrogen Bond Donor Count |
0 |
Hydrogen Bond Acceptor Count |
7 |
| Cross-matching ID |
- PubChem CID
- 46848915
- CAS Number
-
- TTD Drug ID
- D09UZL
- Formula
- C23H17FN6O2
- Canonical SMILES
- COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)N5C=CC=N5)F
- InChI
- InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3
- InChIKey
- KVHRYLNQDWXAGI-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-063 MI
|
DM016272
|
|
Unclear
-
Unclear |
1 |
[2]
|
|
|
|
|
|
|
|
| The Full List of Metabolic Reaction (MR) of This Drug |
|
|
|
|
|
|
|
|
| Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug |
| DME Name |
DME Info |
Species |
Uniprot ID |
EC Number |
REF |
|
Cytochrome P450 2C8 (CYP2C8)
|
DME0018
|
Homo sapiens
|
|
|
[2]
|
|
Cytochrome P450 3A4 (CYP3A4)
|
DME0001
|
Homo sapiens
|
|
|
[2]
|
|
Cytochrome P450 3A5 (CYP3A5)
|
DME0012
|
Homo sapiens
|
|
|
[2]
|
|
|
|
|
|
|
|
| References |
| 1 |
ClinicalTrials.gov (NCT02477020) A Phase 2 Efficacy and Safety Study of TAK-063 in Participants With an Acute Exacerbation of Schizophrenia.
|
| 2 |
Pre-clinical Characterization of Absorption, Distribution, Metabolism and Excretion Properties of TAK-063
|
If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.
