Details of the Drug

General Information of Drug (ID: DMDX6W4)

• Drug Name: [1,3]Oxazinan-(2E)-ylideneamine
• Synonyms: 5,6-dihydro-4h-1,3-oxazin-2-amine; CHEMBL161118; 1848-68-6; [1,3]Oxazinan-(2E)-ylideneamine; SCHEMBL31223; 2-iminotetrahydro-1,3-oxazine; MolPort-044-586-586; BDBM50049258; ZINC13746441; AKOS025312622; AKOS006338233; 2-amino-5,6-dihydro-4h-1,3-oxazine

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); 100.12
  Logarithm of the Partition Coefficient (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C4H8N2O
  IUPAC Name: 5,6-dihydro-4H-1,3-oxazin-2-amine
  Canonical SMILES: C1CN=C(OC1)N
  InChI: InChI=1S/C4H8N2O/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
  InChIKey: VPVZSRIIAONGMU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23042899
  TTD ID: D0M4BM

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] 2-Iminopiperidine and other 2-iminoazaheterocycles as potent inhibitors of human nitric oxide synthase isoforms. J Med Chem. 1996 Feb 2;39(3):669-72.