General Information of the Compound
Compound ID
CP0439696
Compound Name
N,N-dimethyl-2-(2-phenyl-1H-indol-3-yl)ethanamine
    Show/Hide
Structure
Formula
C18H20N2
Molecular Weight
264.372
Canonical SMILES
CN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C18H20N2/c1-20(2)13-12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,19H,12-13H2,1-2H3
    Show/Hide
InChIKey
OCWQYTKVXQUMNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.939
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9903398
SID: 14872457
ChEMBL ID
CHEMBL91447
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 180 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS