Details of the Drug

General Information of Drug (ID: DM2XB68)

• Drug Name: 6-isobutyl-4-methylpyridin-2-amine
• Synonyms: CHEMBL294609; 6-isobutyl-4-methylpyridin-2-amine; SCHEMBL7052362; VMTPVCVORKDABN-UHFFFAOYSA-N; BDBM50091801; 2-Amino-4-methyl-6-isobutylpyridine; 6-Isobutyl-4-methyl-pyridin-2-ylamine; 179555-28-3; 2-amino-4-methyl-6-(2-methylpropyl)pyridine; 2-Pyridinamine, 4-methyl-6-(2-methylpropyl)-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 164.25
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H16N2
  IUPAC Name: 4-methyl-6-(2-methylpropyl)pyridin-2-amine
  Canonical SMILES: CC1=CC(=NC(=C1)N)CC(C)C
  InChI: InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
  InChIKey: VMTPVCVORKDABN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10197851
  ChEBI ID: CHEMBL294609
  TTD ID: D00EVC
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Inhibitor	[1]

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

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.