Details of the Drug

General Information of Drug (ID: DMPB7Z6)

Drug Name

PMID15686941C13

Synonyms

GTPL6447; BDBM50161031

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

229.24

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H11N5O
IUPAC Name: 3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
Canonical SMILES: CC1=CN=C(C(=N1)C(=O)NC2=CC=CC=N2)N
InChI: InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)
InChIKey: NAQODRYELYCKDS-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	Modulator (allosteric modulator)	[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	Dipyridyl amides: potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1197-200.