General Information of the Compound
Compound ID
CP0377240
Compound Name
N-[1-(2-chloro-4-fluorobenzoyl)indol-5-yl]pyridine-2-carboxamide
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Structure
Formula
C21H13ClFN3O2
Molecular Weight
393.805
Canonical SMILES
Fc1ccc(C(=O)n2ccc3cc(NC(=O)c4ccccn4)ccc23)c(Cl)c1
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InChI
InChI=1S/C21H13ClFN3O2/c22-17-12-14(23)4-6-16(17)21(28)26-10-8-13-11-15(5-7-19(13)26)25-20(27)18-3-1-2-9-24-18/h1-12H,(H,25,27)
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InChIKey
AOFDTVQSPBZZNQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7696
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 53324349
ChEMBL ID
CHEMBL1672256
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: 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 = 1420 nM
   TI
   LI
   LO
   TS
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 = 1660 nM
   TI
   LI
   LO
   TS