Details of the Drug

General Information of Drug (ID: DM2W71L)

Drug Name

2-chloro-N-(3-(3-chlorobenzamido)phenyl)benzamide

Synonyms

CHEMBL1088311; 2-chloro-N-(3-(3-chlorobenzamido)phenyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

385.2

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H14Cl2N2O2
IUPAC Name: 2-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)Cl
InChI: InChI=1S/C20H14Cl2N2O2/c21-14-6-3-5-13(11-14)19(25)23-15-7-4-8-16(12-15)24-20(26)17-9-1-2-10-18(17)22/h1-12H,(H,23,25)(H,24,26)
InChIKey: IKCXGGCLQZZTJZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

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References

1	Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6502-6.