General Information of the Compound
Compound ID
CP0341517
Compound Name
N,N-dimethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
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Structure
Formula
C17H19N3
Molecular Weight
265.36
Canonical SMILES
CN(C)CCn1ccc2ccc(cc12)-c1cccnc1
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InChI
InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3
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InChIKey
BODASUORRGHPGV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2649
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 15549970
ChEMBL ID
CHEMBL343492
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: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.4 nM
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