Details of the Drug

General Information of Drug (ID: DMZHV39)

• Drug Name: Azepan-(2Z)-ylideneamine
• Synonyms: Azepan-(2Z)-ylideneamine; 3,4,5,6-tetrahydro-2H-azepin-7-amine; CHEMBL315857; 2214-67-7; iminohomopiperidine; 2-Iminohexahydro-1H-azepine; SCHEMBL1575752; MolPort-007-996-393; GTLJSJNKRLFVSJ-UHFFFAOYSA-N; STL163828; ZINC13746433; BBL012958; BDBM50049257; AKOS002684184; AKOS006375172; MCULE-7781415779

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); -0.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C6H12N2
  IUPAC Name: 3,4,5,6-tetrahydro-2H-azepin-7-amine
  Canonical SMILES: C1CCC(=NCC1)N
  InChI: InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
  InChIKey: GTLJSJNKRLFVSJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9793728
  ChEBI ID: CHEMBL315857
  TTD ID: D08ALG
• 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] Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase. Bioorg Med Chem Lett. 2001 Oct 8;11(19):2651-3.