General Information of the Compound
Compound ID
CP0261580
Compound Name
N-[1-(2-methoxybenzoyl)indol-5-yl]pyridine-2-carboxamide
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Structure
Formula
C22H17N3O3
Molecular Weight
371.396
Canonical SMILES
COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc12
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InChI
InChI=1S/C22H17N3O3/c1-28-20-8-3-2-6-17(20)22(27)25-13-11-15-14-16(9-10-19(15)25)24-21(26)18-7-4-5-12-23-18/h2-14H,1H3,(H,24,26)
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InChIKey
GQRLDCRWANUDSO-UHFFFAOYSA-N
Physicochemical Property
logP
3.9857
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
73.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 53322767
ChEMBL ID
CHEMBL1672257
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1340 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1410 nM
   TI
   LI
   LO
   TS