Details of the Drug

General Information of Drug (ID: DMY04D1)

• Drug Name: 4-methyl-6-propylpyridin-2-amine
• Synonyms: 4-Methyl-6-propylpyridin-2-amine; CHEMBL302657; 2-amino-4-methyl-6-propylpyridine; 179555-24-9; SCHEMBL7051196; QGCCHDIBMYPTPX-UHFFFAOYSA-N; BDBM50091817; 4-Methyl-6-propyl-pyridin-2-ylamine; 2-Pyridinamine, 4-methyl-6-propyl-; AKOS027400844; 4-Methyl-6-propylpyridin-2-amine, 7

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); 150.22
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H14N2
  IUPAC Name: 4-methyl-6-propylpyridin-2-amine
  Canonical SMILES: CCCC1=NC(=CC(=C1)C)N
  InChI: InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
  InChIKey: QGCCHDIBMYPTPX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9855524
  TTD ID: D02TMX

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] Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat Chem Biol. 2008 Nov;4(11):700-7.