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

General Information of Drug (ID: DR3505)
Drug Name
SEP-363856
Synonyms .
Indication Schizophrenia [ICD11: 6A20] Phase 3 [1]
Parkinsonism [ICD11: ICD11: 8A00] Phase 2 [2]
Major depressive disorder [ICD11: ICD11: 6A70-6A7Z] Phase 1 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 183.27 Topological Polar Surface Area 49.5
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
89532783
CAS Number
1310426-33-5
TTD Drug ID
D04ZKY
Formula
C9H13NOS
Canonical SMILES
CNC[C@H]1C2=C(CCO1)C=CS2
InChI
InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
InChIKey
ABDDQTDRAHXHOC-QMMMGPOBSA-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
SEP-383103 DM019010 N. A. Unclear - Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013881 SEP-363856 SEP-383103 Unclear - Unclear CYP2D6 [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
References
1 ClinicalTrials.gov (NCT04109950) A Clinical Study to Evaluate the Long-term Safety and Tolerability of an Investigational Drug in People With Schizophrenia. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT01994473) Study Assessing the Safety, Tolerability, and Pharmacokinetics of SEP-363856 in Male and Female Subjects With Schizophrenia. U.S. National Institutes of Health.
4 In Vitro ADME and Preclinical Pharmacokinetics of Ulotaront, a TAAR1/5-HT(1A) Receptor Agonist for the Treatment of Schizophrenia

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.