Details of the Drug

General Information of Drug (ID: DME7W0Q)

• Drug Name: 4-Methyl-oxazolidin-(2Z)-ylideneamine
• Synonyms: CHEMBL105823; 4-methyl-4,5-dihydro-1,3-oxazol-2-amine; 68210-17-3; 4-Methyl-oxazolidin-(2Z)-ylideneamine; 4-Methyloxazolidine-2-imine; SCHEMBL6593982; SCHEMBL11825446; MolPort-004-802-126; BDBM50138202; AKOS006363611; NE17732

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: 4-methyl-4,5-dihydro-1,3-oxazol-2-amine
  Canonical SMILES: CC1COC(=N1)N
  InChI: InChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)
  InChIKey: PIXPFRMNXPKTFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 18376830
  TTD ID: D08DQZ

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 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] 4,5-Disubstituted-1,3-oxazolidin-2-imine derivatives: a new class of orally bioavailable nitric oxide synthase inhibitor. Bioorg Med Chem Lett. 2004 Jan 19;14(2):313-6.