Details of the Drug

General Information of Drug (ID: DMUS9Z3)

Drug Name

1-(6-Amino-4-methylpyridin-2-yl)propan-2-ol

Synonyms

CHEMBL500364; 1-(6-Amino-4-methylpyridin-2-yl)propan-2-ol

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)

166.22

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H14N2O
IUPAC Name: 1-(6-amino-4-methylpyridin-2-yl)propan-2-ol
Canonical SMILES: CC1=CC(=NC(=C1)N)CC(C)O
InChI: InChI=1S/C9H14N2O/c1-6-3-8(5-7(2)12)11-9(10)4-6/h3-4,7,12H,5H2,1-2H3,(H2,10,11)
InChIKey: KSEWELLLEMDLDQ-UHFFFAOYSA-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.