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

General Information of Drug (ID: DR5953)
Drug Name
Penfluridol
Synonyms
PENFLURIDOL; 26864-56-2; Semap; 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol; TLP-607; McN-JR-16,341; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol; Penfluridolum [INN-Latin]; C28H27ClF5NO; UNII-25TLU22Q8H; R 16341; EINECS 248-074-5; R-16341; BRN 1558826; CHEMBL47050; 25TLU22Q8H; MDLAAYDRRZXJIF-UHFFFAOYSA-N; 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-; 4-Piperidinol,; Hydroxamates
Indication Schizophrenia [ICD11: 6A20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 524 Topological Polar Surface Area 23.5
Heavy Atom Count 36 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
33630
ChEBI ID
CHEBI:92278
CAS Number
26864-56-2
TTD Drug ID
D0CQ0Z
Formula
C28H27ClF5NO
Canonical SMILES
C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
InChIKey
MDLAAYDRRZXJIF-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
4,4-Bis(4-Fluorophenyl)Butanoic Acid DM002847
88637
Oxidation - Oxidation 1 [2]
Penfluridol B1 DM015090
89107
Oxidation - N-dealkylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011140 Penfluridol Penfluridol A1 Oxidation - Oxidation Unclear [2]
MR011141 Penfluridol Penfluridol B1 Oxidation - N-dealkylation Unclear [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Penfluridol: a neuroleptic drug designed for long duration of action

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