Details of the Drug

General Information of Drug (ID: DM0LTB2)

• Drug Name: PT-103
• Synonyms: Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-; 149486-00-0; PETT Analog 53; PT-103; AC1LJB56; MLS000671915; CHEMBL398765; cid_971434; BDBM1886; DTXSID40164296; MolPort-001-646-260; HMS2692K09; ZINC13519717; STL173974; AKOS001094581; MCULE-7559129905; NCGC00245681-01; SMR000294417; 1-Phenethyl-3-(5-methyl-2-pyridyl)thiourea; 1-(5-methyl-2-pyridyl)-3-phenethyl-thiourea; 1-(5-methylpyridin-2-yl)-3-phenethylthiourea; N-(2-Phenethyl)-N -(2-(5-methylpyridyl))thiourea; N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)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); 271.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H17N3S
  IUPAC Name: 1-(5-methylpyridin-2-yl)-3-(2-phenylethyl)thiourea
  Canonical SMILES: CC1=CN=C(C=C1)NC(=S)NCCC2=CC=CC=C2
  InChI: InChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19)
  InChIKey: FTLVKPIQAUANGB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 971434
  CAS Number: 149486-00-0
  TTD ID: D05UTC

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.