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

General Information of Drug (ID: DR3407)
Drug Name
ITI-007
Synonyms .
Indication Depression [ICD11: 6A70-6A7Z] Phase 3 [1]
Insomnia [ICD11: ICD11: 7A00-7A0Z] Phase 3 [2]
Schizophrenia [ICD11: ICD11: 6A20] Phase 3 [3]
Major depressive disorder [ICD11: ICD11: 6A70-6A7Z] Phase 2 [4]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 393.5 Topological Polar Surface Area 26.8
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
21302490
CAS Number
313369-37-8
TTD Drug ID
D0Q0EF
Formula
C24H28FN3O
Canonical SMILES
CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
InChIKey
HOIIHACBCFLJET-SFTDATJTSA-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
IC200161 DM018294 N. A. Oxidation - Dealkylation 1 [5]
IC200565 DM018295 N. A. Oxidation - Dealkylation 1 [5]
ICI200131 DM018293 N. A. Reduction - Reduction 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011407 ITI-007 ICI200131 Reduction - Reduction AKR [5]
MR011408 ITI-007 IC200161 Oxidation - Dealkylation CYP3A4 [5]
MR011409 ITI-007 IC200565 Oxidation - Dealkylation CYP3A4 [5]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02469155) A Trial to Assess the Antipsychotic Efficacy of ITI-007 Over 6 Weeks of Treatment.
3 ClinicalTrials.gov (NCT02469155) A Trial to Assess the Antipsychotic Efficacy of ITI-007 Over 6 Weeks of Treatment.
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 An evaluation of lumateperone tosylate for the treatment of schizophrenia

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