Details of the Drug

General Information of Drug (ID: DMLC2I6)

Drug Name

3-chloro-N-(6-chloropyridin-2-yl)benzamide

Synonyms

CHEMBL208976; 3-chloro-N-(6-chloropyridin-2-yl)benzamide; BDBM50186322

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)

267.11

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H8Cl2N2O
IUPAC Name: 3-chloro-N-(6-chloropyridin-2-yl)benzamide
Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=O)NC2=NC(=CC=C2)Cl
InChI: InChI=1S/C12H8Cl2N2O/c13-9-4-1-3-8(7-9)12(17)16-11-6-2-5-10(14)15-11/h1-7H,(H,15,16,17)
InChIKey: FCJWDXAXERKUEZ-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	Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3371-5.