Details of the Drug

General Information of Drug (ID: DMHAJCM)

• Drug Name: Isothiazolone derivative 1
• Synonyms: PMID26560362-Compound-33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 349.5
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C16H23N5O2S
  IUPAC Name: 6-morpholin-4-yl-2-(2-piperidin-1-ylethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one
  Canonical SMILES: C1CCN(CC1)CCN2C(=O)C3=CN=C(N=C3S2)N4CCOCC4
  InChI: InChI=1S/C16H23N5O2S/c22-15-13-12-17-16(20-8-10-23-11-9-20)18-14(13)24-21(15)7-6-19-4-2-1-3-5-19/h12H,1-11H2
  InChIKey: YVQWBBJPPJKQIM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23287881
  TTD ID: D09ZAJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Inhibitor	[1]

References

• [1] 15-Lipoxygenase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):65-88.