Details of the Drug

General Information of Drug (ID: DMC1IKP)

• Drug Name: 1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea
• Synonyms: CHEMBL345996; AC1MHEHQ; 1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea; BDBM50097040; 1-(2-phenoxyethyl)-3-thiazol-2-yl-thiourea; 1-(2-Phenoxyethyl)-3-(2-thiazolyl)thiourea; 1-(2-phenoxyethyl)-3-(1,3-thiazol-2-yl)thiourea

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); 279.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H13N3OS2
  IUPAC Name: 1-(2-phenoxyethyl)-3-(1,3-thiazol-2-yl)thiourea
  Canonical SMILES: C1=CC=C(C=C1)OCCNC(=S)NC2=NC=CS2
  InChI: InChI=1S/C12H13N3OS2/c17-11(15-12-14-7-9-18-12)13-6-8-16-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,17)
  InChIKey: MJPUUVIJLSCJEY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3003029
  TTD ID: D0PJ9J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

References

• [1] Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds. Bioorg Med Chem Lett. 2001 Feb 26;11(4):523-8.