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

General Information of Drug (ID: DR0732)
Drug Name
Fluspirilene
Synonyms
Fluspirilen; Fluspirilene; Fluspirilene [USAN:INN:BAN]; Fluspirileno; Fluspirileno [INN-Spanish]; Fluspirilenum; Fluspirilenum [INN-Latin]; Lopac-F-100; McN-JR-6218; R 6218; R-6218; Redeptin; 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane; 1841-19-6; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one; 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; BRN 0633853; C5QA4GLR9M; CHEMBL46516; EINECS 217-418-6; Imap; NCGC00015424-11; UNII-C5QA4GLR9M
Indication Schizophrenia [ICD11: 6A20] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 475.6 Topological Polar Surface Area 35.6
Heavy Atom Count 35 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
3396
PubChem SID
5373984 ; 8152165 ; 11111163 ; 11112501 ; 11466934 ; 11468054 ; 11486687 ; 11532937 ; 15034182 ; 17396799 ; 17405081 ; 24277915 ; 26753577 ; 26753578 ; 29222531 ; 46508202 ; 47365394 ; 47365395 ; 47440449 ; 47515499 ; 47662490 ; 48185163 ; 48185164 ; 49699203 ; 50055682 ; 50106303 ; 50106304 ; 50106305 ; 50549166 ; 53777624 ; 56422781 ; 57298659 ; 57321776 ; 81093250 ; 85086165 ; 85209874 ; 85231040 ; 85788238 ; 90341058 ; 92125718 ; 92303784 ; 92308731 ; 92309759 ; 99300673 ; 103224650 ; 103914601 ; 104171151 ; 104303392 ; 121361281 ; 121363389
ChEBI ID
CHEBI:93369
CAS Number
1841-19-6
TTD Drug ID
D0U5FS
Formula
C29H31F2N3O
Canonical SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
InChIKey
QOYHHIBFXOOADH-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
1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One DM007059
70556
Unclear 1 [3]
4,4-Bis(4-Fluorophenyl)Butanoic Acid DM002847
88637
Unclear 1 [3]
Fluspirilene M1 DM007060 N. A. Unclear 1 [3]
1-Phenyl-1,3,8-Triazaspiro[4.5]Decane-2,4-Dione DM007054
53953822
Unclear 2 [3]
2,2-Bis(4-Fluorophenyl)Acetic Acid DM007058
13511684
Unclear 2 [3]
4,4-Bis(4-Fluorophenyl)Butanoic Acid DM002847
88637
Unclear 2 [3]
1-Phenylurea DM007055
6145
Unclear 3 [3]
M-Hydroxyphenylurea DM007056
197742
Unclear 4 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007196 Fluspirilene Fluspirilene M1 Unclear Unclear [3]
MR007201 Fluspirilene 4,4-Bis(4-Fluorophenyl)Butanoic Acid Unclear Unclear [3]
MR007203 Fluspirilene 1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One Unclear Unclear [3]
MR007204 1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One 1-Phenyl-1,3,8-Triazaspiro[4.5]Decane-2,4-Dione Unclear Unclear [3]
MR007202 4,4-Bis(4-Fluorophenyl)Butanoic Acid 2,2-Bis(4-Fluorophenyl)Acetic Acid Unclear Unclear [3]
MR007197 Fluspirilene M1 1-Phenyl-1,3,8-Triazaspiro[4.5]Decane-2,4-Dione Unclear Unclear [3]
MR007200 Fluspirilene M1 4,4-Bis(4-Fluorophenyl)Butanoic Acid Unclear Unclear [3]
MR007198 1-Phenyl-1,3,8-Triazaspiro[4.5]Decane-2,4-Dione 1-Phenylurea Unclear Unclear [3]
MR007199 1-Phenylurea M-Hydroxyphenylurea Unclear Unclear [3]
⏷ Show the Full List of 9 MR(s)
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 Experience with fluspirilene (R 6218), a long-acting neuroleptic. Psychiatr Neurol Neurochir. 1970 Jul-Aug;73(4):277-84.
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 The excretion and metabolism of the long-acting neuroleptic drug fluspirilene in the rat

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