General Information of the Compound
Compound ID
CP0399752
Compound Name
5-chloro-3-ethyl-N-[2-[4-(methylamino)phenyl]ethyl]-1H-indole-2-carboxamide
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Structure
Formula
C20H22ClN3O
Molecular Weight
355.869
Canonical SMILES
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(NC)cc1
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InChI
InChI=1S/C20H22ClN3O/c1-3-16-17-12-14(21)6-9-18(17)24-19(16)20(25)23-11-10-13-4-7-15(22-2)8-5-13/h4-9,12,22,24H,3,10-11H2,1-2H3,(H,23,25)
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InChIKey
SPTNEZKXRMAQGK-UHFFFAOYSA-N
Physicochemical Property
logP
4.3979
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
56.92
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 60155821
SID: 144086892
ChEMBL ID
CHEMBL2071062
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 960 nM
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   LI
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Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 9130 nM
   TI
   LI
   LO
   TS