General Information of the Compound
Compound ID
CP0381485
Compound Name
N-[2-chloro-4-(pyridine-2-carbonylamino)phenyl]-1-methylindole-2-carboxamide
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Structure
Formula
C22H17ClN4O2
Molecular Weight
404.857
Canonical SMILES
Cn1c(cc2ccccc12)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
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InChI
InChI=1S/C22H17ClN4O2/c1-27-19-8-3-2-6-14(19)12-20(27)22(29)26-17-10-9-15(13-16(17)23)25-21(28)18-7-4-5-11-24-18/h2-13H,1H3,(H,25,28)(H,26,29)
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InChIKey
ZXTBBQGJJBRESR-UHFFFAOYSA-N
Physicochemical Property
logP
4.7313
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
76.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 51003375
SID: 117686621
ChEMBL ID
CHEMBL1909436
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 = 2970 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 = 4720 nM
   TI
   LI
   LO
   TS