Details of the Drug

General Information of Drug (ID: DM3EDBO)

Drug Name

6-(4-Fluorobutyl)-4-methylpyridin-2-amine

Synonyms

CHEMBL509542; 6-(4-Fluorobutyl)-4-methylpyridin-2-amine; 2-Pyridinamine, 6-(4-fluorobutyl)-4-methyl-; BDBM50267355

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

182.24

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H15FN2
IUPAC Name: 6-(4-fluorobutyl)-4-methylpyridin-2-amine
Canonical SMILES: CC1=CC(=NC(=C1)N)CCCCF
InChI: InChI=1S/C10H15FN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKey: OTKWRERYYAYGSY-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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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)

Jump to Detail Molecular Expression Atlas of This Drug

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.