Details of the Drug

General Information of Drug (ID: DM75OHG)

Drug Name

(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine

Synonyms

CHEMBL501620; (E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine; SCHEMBL15091007; SCHEMBL15091006; QHUQCHMVBGZYHI-ONEGZZNKSA-N; ZINC40424901; BDBM50267274

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)

148.2

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H12N2
IUPAC Name: 4-methyl-6-[(E)-prop-1-enyl]pyridin-2-amine
Canonical SMILES: C/C=C/C1=NC(=CC(=C1)C)N
InChI: InChI=1S/C9H12N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3-6H,1-2H3,(H2,10,11)/b4-3+
InChIKey: QHUQCHMVBGZYHI-ONEGZZNKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_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
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

Molecular Expression Atlas (MEA)

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References

1	Design and synthesis of 2-amino-4-methylpyridine analogues as inhibitors for inducible nitric oxide synthase and in vivo evaluation of [18F]6-(2-fl... J Med Chem. 2009 Apr 23;52(8):2443-53.