Details of the Drug

General Information of Drug (ID: DMCV891)

Drug Name

7-methyl-2-m-tolylpyrido[2,3-d]pyrimidine

Synonyms

CHEMBL238552; 7-methyl-2-m-tolylpyrido[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)

235.28

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: C15H13N3
IUPAC Name: 7-methyl-2-(3-methylphenyl)pyrido[2,3-d]pyrimidine
Canonical SMILES: CC1=CC(=CC=C1)C2=NC=C3C=CC(=NC3=N2)C
InChI: InChI=1S/C15H13N3/c1-10-4-3-5-12(8-10)14-16-9-13-7-6-11(2)17-15(13)18-14/h3-9H,1-2H3
InChIKey: AHSIQPYQWYRYSS-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.