Details of the Drug

General Information of Drug (ID: DMNMXCE)

• Drug Name: 4-Methyl-piperidin-(2E)-ylideneamine
• Synonyms: CHEMBL6808; 2-imino-4-methylpiperidine; 2-PYRIDINAMINE, 3,4,5,6-TETRAHYDRO-4-METHYL-; 165383-71-1; 4-Methyl-piperidin-(2E)-ylideneamine; AC1MMWW1; 4-methylpiperidin-2-imine; 4-methyl-3,4,5,6-tetrahydropyridin-2-amine; 4-Methyl-2-piperidinimine; SCHEMBL4103569; CTK0A9019; DTXSID00390857; BDBM50062133; 4-Methyl-piperidin-(2Z)-ylideneamine; AKOS006348873; FT-0722141; 4-methyl-2,3,4,5-tetrahydropyridin-6-amine

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); 112.17
  Logarithm of the Partition Coefficient (xlogp); -0.1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C6H12N2
  IUPAC Name: 4-methyl-2,3,4,5-tetrahydropyridin-6-amine
  Canonical SMILES: CC1CCN=C(C1)N
  InChI: InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
  InChIKey: GGDLOMFAKKVDPT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3268009
  CAS Number: 165383-71-1
  TTD ID: D0D7PK

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] Bicyclic amidine inhibitors of nitric oxide synthase: discovery of perhydro-iminopyrindine and perhydro-iminoquinoline as potent, orally active inh... Bioorg Med Chem Lett. 2005 Apr 15;15(8):1997-2001.