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

General Information of Drug (ID: DR0994)
Drug Name
Lurasidone
Synonyms
Lurasidone; Lurasidone [INN]; SM13496; lurasidona; lurasidonum; (3aR,4S,7R,7aS)-2-((1R,2R)-2-(4-(1,2-Benzothiazol-3-yl)piperazin-1-ylmethyl)cyclohexylmethyl)hexahydro-4,7-methano-2H-isoindole-1,3-dione; (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione; 22IC88528T; 367514-87-2; CHEBI:70735; HSDB 8228; UNII-22IC88528T
Indication Schizophrenia [ICD11: 6A20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 492.7 Topological Polar Surface Area 85
Heavy Atom Count 35 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
213046
PubChem SID
16247346 ; 30417284 ; 47362895 ; 51026536 ; 57399659 ; 103068778 ; 103080863 ; 104253152 ; 117591937 ; 123051051 ; 134224709 ; 134339501 ; 135187871 ; 135692869 ; 136351322 ; 137892911 ; 160645972 ; 162011722 ; 162517092 ; 175265796 ; 175427100 ; 187051764 ; 223668806 ; 224768364 ; 226972568 ; 249821695 ; 249866658 ; 252110201 ; 252215721 ; 252448605
ChEBI ID
CHEBI:70735
CAS Number
367514-87-2
TTD Drug ID
D01QGX
Formula
C28H36N4O2S
Canonical SMILES
C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O
InChI
1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
InChIKey
PQXKDMSYBGKCJA-CVTJIBDQSA-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
ID-11614 DM003496
2772144
Unclear 1 [2]
ID-14326 DM006449
138393914
Unclear 1 [2]
ID-20219 DM006450 N. A. Unclear 1 [2]
ID-20220 DM006451
156596468
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006930 Lurasidone ID-14326 Unclear CYP3A4 [2]
MR006931 Lurasidone ID-20219 Unclear Unclear [2]
MR006932 Lurasidone ID-20220 Unclear Unclear [2]
MR006933 Lurasidone ID-11614 Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Lurasidone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Pharmacokinetics and pharmacodynamics of lurasidone hydrochloride, a second-generation antipsychotic: a systematic review of the published literature. Clin Pharmacokinet. 2017 May;56(5):493-503.

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