General Information of the Compound
Compound ID
CP0195373
Compound Name
3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydrochloride
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Synonyms
13042-18-7
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
AC1L1FPB
Benzenepropanamine, .gamma.-phenyl-N-(1-phenylethyl)-
Benzenepropanamine, gamma-phenyl-N-(1-phenylethyl)-
CHEMBL254832
EINECS 235-915-6
FENDILINE
Fendilin
Fendilina
Fendilina [INN-Spanish]
Fendiline (INN)
Fendiline [INN]
Fendilinum
Fendilinum [INN-Latin]
NCGC00018223-06
Phendilin
Prestwick1_000270
Prestwick2_000270
Prestwick3_000270
SPBio_001131
Senzit
Spectrum2_001006
Spectrum3_001436
Spectrum4_000417
Spectrum5_001302
Spectrum_000443
fendiline
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Structure
Formula
C23H25N
Molecular Weight
315.46
Canonical SMILES
CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
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
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InChIKey
NMKSAYKQLCHXDK-UHFFFAOYSA-N
CAS
13042-18-7
Physicochemical Property
logP
5.5594
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3336
SID: 15024383
ChEMBL ID
CHEMBL254832
DrugBank ID
DB08980
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 3217 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01916, Extracellular calcium-sensing receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FENDILINE )
Drug Name FENDILINE
Indication
Coronary artery disease
Withdrawn from market
Target(s)
5-HT 2B receptor (HTR2B)
 Target Info 
Inhibitor