Details of the Drug

General Information of Drug (ID: DM7TILD)

• Drug Name: PT-309
• Synonyms: 149485-98-3; Thiourea, N-(2-(2-chloro-6-fluorophenyl)ethyl)-N'-2-thiazolyl-; PETT Analog 24; Thiourea, N-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-2-thiazolyl-; PT-309; AC1MHDKD; PETT Cl, F deriv.; SCHEMBL6362179; CHEMBL252137; BDBM1917; DTXSID20164294; 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea; 1-(2-Thiazolyl)-3-[2-chloro-6-fluorophenethyl]thiourea; N-(2-(2-Chloro-6-fluorophenethyl))-N -(2-thiazolyl)thiourea; 1-[2-(2-chloro-6-fluoro-phenyl)ethyl]-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); 315.8
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H11ClFN3S2
  IUPAC Name: 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
  Canonical SMILES: C1=CC(=C(C(=C1)Cl)CCNC(=S)NC2=NC=CS2)F
  InChI: InChI=1S/C12H11ClFN3S2/c13-9-2-1-3-10(14)8(9)4-5-15-11(18)17-12-16-6-7-19-12/h1-3,6-7H,4-5H2,(H2,15,16,17,18)
  InChIKey: DLYWQFUMFDBURV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3001094
  CAS Number: 149485-98-3
  TTD ID: D0AZ7V

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] Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relati... J Med Chem. 1995 Dec 8;38(25):4929-36.