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

General Information of Drug (ID: DR0686)
Drug Name
Fendiline
Synonyms
Fendilin; Fendilina; Fendilina [INN-Spanish]; Fendiline (INN); Fendiline [INN]; Fendilinum; Fendilinum [INN-Latin]; Phendilin; Prestwick1_000270; SPBio_001131; Senzit; Spectrum2_001006; Spectrum4_000417; Spectrum5_001302; Spectrum_000443; fendiline; 13042-18-7; 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine; 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride; AC1L1FPB; Benzenepropanamine, .gamma.-phenyl-N-(1-phenylethyl)-; Benzenepropanamine, gamma-phenyl-N-(1-phenylethyl)-; CHEMBL254832; EINECS 235-915-6; NCGC00018223-06
Indication Atherosclerosis [ICD11: BA80] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 315.5 Topological Polar Surface Area 12
Heavy Atom Count 24 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
3336
ChEBI ID
CHEBI:94434
CAS Number
13042-18-7
TTD Drug ID
D02FEA
Formula
C23H25N
Canonical SMILES
CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
InChIKey
NMKSAYKQLCHXDK-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-(4-hydroxyphenyl)ethanone DM004022
7469
Unclear 1 [3]
Fendiline M4 DM006671 N. A. Unclear 1 [3]
Hydroxyfendiline DM006665 N. A. Unclear 1 [3]
1-(4-hydroxyphenyl)ethanone DM004022
7469
Unclear 2 [3]
3,3-diphenylpropylamine DM006667
79698
Unclear 2 [3]
3,3-diphenylpropanol DM006670
29908
Unclear 3 [3]
3,3-diphenylpropylamine DM006667
79698
Unclear 3 [3]
Fendiline M10 DM006669
5151463
Unclear 3 [3]
Fendiline M11 DM006668 N. A. Unclear 3 [3]
3,3-diphenylpropanol DM006670
29908
Unclear 4 [3]
Fendiline M10 DM006669
5151463
Unclear 4 [3]
Fendiline M11 DM006668 N. A. Unclear 4 [3]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007179 Fendiline Hydroxyfendiline Unclear Unclear [3]
MR007185 Fendiline p-hydroxy-acetophenone Unclear Unclear [3]
MR007186 Fendiline Fendiline M4 Unclear Unclear [3]
MR007187 Fendiline M4 p-hydroxy-acetophenone Unclear Unclear [3]
MR007180 Hydroxyfendiline p-hydroxy-acetophenone Unclear Unclear [3]
MR007181 p-hydroxy-acetophenone 3,3-diphenylpropylamine Unclear Unclear [3]
MR007188 p-hydroxy-acetophenone Fendiline M11 Unclear Unclear [3]
MR007182 3,3-diphenylpropylamine Fendiline M11 Unclear Unclear [3]
MR007183 3,3-diphenylpropylamine Fendiline M10 Unclear Unclear [3]
MR007184 3,3-diphenylpropylamine 3,3-diphenylpropanol Unclear Unclear [3]
⏷ Show the Full List of 10 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 Value of fendiline in the treatment of patients with stable angina pectoris. Pol Tyg Lek. 1987 Nov 16;42(46):1456-8.
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 Identification of fendiline metabolites in human urine

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