Details of the Drug

General Information of Drug (ID: DM3B1CE)

• Drug Name: 4-phenylthiazole-2-thiol
• Synonyms: 4-Phenylthiazole-2-thiol; 2103-88-0; 2-Mercapto-4-phenylthiazole; 4-Phenyl-2-thiazolethiol; 4-Phenyl-1,3-thiazole-2-thiol; 2(3H)-Thiazolethione, 4-phenyl-; 4-Phenyl-2-mercaptothiazole; 4-Thiazoline-2-thione, 4-phenyl-; 2-Thiazolethiol, 4-phenyl-; 4-phenyl-thiazole-2-thiol; CHEMBL571436; 4-Phenylthiazole-2(3H)-thione; NSC 678; CYCKHTAVNBPQDB-UHFFFAOYSA-N; EINECS 218-274-7; 4-phenyl-3H-1,3-thiazole-2-thione; NSC678; zlchem 830; AC1MHDCC; ACMC-1CJ8W; 2-mercapto-4-phenylthiazol; MLS001006837; SCHEMBL178051; SCHEMBL11460891

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); 193.3
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H7NS2
  IUPAC Name: 4-phenyl-3H-1,3-thiazole-2-thione
  Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=S)N2
  InChI: InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
  InChIKey: CYCKHTAVNBPQDB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3000729
  ChEBI ID: CHEBI:109516
  CAS Number: 2103-88-0
  TTD ID: D02SRL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

References

• [1] Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.