Details of the Drug

General Information of Drug (ID: DMUP8NS)

• Drug Name: 4-Methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
• Synonyms: CHEMBL75304; 479668-33-2; 5,6-dihydro-4-methyl-2-Pyridinamine; ZINC2002913; BDBM50116666; AKOS006359115; FCH1123804; ACM479668332; DB-070901; FT-0749169; 2-Pyridinamine,5,6-dihydro-4-methyl-(9CI)

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); 110.16
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C6H10N2
  IUPAC Name: 4-methyl-2,3-dihydropyridin-6-amine
  Canonical SMILES: CC1=CC(=NCC1)N
  InChI: InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
  InChIKey: SRTDZDDEFUNXJL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9793827
  TTD ID: D0DI7W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_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 endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

References

• [1] Design and synthesis of orally bioavailable inhibitors of inducible nitric oxide synthase. Part 1: synthesis and biological evaluation of dihydropy... Bioorg Med Chem Lett. 2002 Sep 2;12(17):2291-4.