General Information of the Compound
Compound ID
CP0208552
Compound Name
(E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide
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Synonyms
1166-34-3
2'-((3-Dimethylaminopropyl)thio)cinnamanilide
2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl-
AC1NUDS4
BPBio1_001097
Biomol-NT_000092
CAS-1166-34-3
CHEMBL18786
CINANSERIN
Cinanserin Monohydrochloride
Cinanserin [INN]
Cinanserina
Cinanserina [INN-Spanish]
Cinanserine
Cinanserine [INN-French]
Cinanserinum
Cinanserinum [INN-Latin]
Cinaserin
DSSTox_CID_25653
DSSTox_GSID_45653
DSSTox_RID_81031
KI6J9OY7A3
NCGC00024599-02
SCHEMBL571561
SQ 16167
SQ-10,643
SQ-16,167
UNII-KI6J9OY7A3
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Structure
Formula
C20H24N2OS
Molecular Weight
340.492
Canonical SMILES
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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InChIKey
RSUVYMGADVXGOU-BUHFOSPRSA-N
CAS
33464-86-7
Physicochemical Property
logP
4.3823
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 5475158
SID: 14827182
ChEMBL ID
CHEMBL18786
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: PT00825, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 22 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 17 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 24 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CINANSERIN )
Drug Name CINANSERIN
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor