Details of the Drug

General Information of Drug (ID: DMVA4XC)

Drug Name

2-(3-bromophenyl)pyrido[2,3-d]pyrimidine

Synonyms

CHEMBL239197; 2-(3-bromophenyl)pyrido[2,3-d]pyrimidine

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)

286.13

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H8BrN3
IUPAC Name: 2-(3-bromophenyl)pyrido[2,3-d]pyrimidine
Canonical SMILES: C1=CC(=CC(=C1)Br)C2=NC=C3C=CC=NC3=N2
InChI: InChI=1S/C13H8BrN3/c14-11-5-1-3-9(7-11)12-16-8-10-4-2-6-15-13(10)17-12/h1-8H
InChIKey: KOBJRMNXIZSOES-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 2-aryl pyrido[2,3-d]pyrimidines as potent mGlu5 receptor antagonists. Bioorg Med Chem Lett. 2007 Oct 1;17(19):5396-9.