Details of the Drug

General Information of Drug (ID: DMUW94S)

• Drug Name: 2,3-dihydrobenzo[d]thiazole-2-thiol
• Synonyms: CHEMBL570797; 2,3-dihydrobenzothiazole-2-thiol; 2,3-dihydrobenzo[d]thiazole-2-thiol; 2,3-dihydro-1,3-benzothiazole-2-thiol; AC1MMT8Q; 2-benzo[d]thiazolinethiol; 2(3H)-Benzothiazolethiol; SCHEMBL1405549; BDBM50303907; AKOS006278847; 94495-79-1

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); 169.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C7H7NS2
  IUPAC Name: 2,3-dihydro-1,3-benzothiazole-2-thiol
  Canonical SMILES: C1=CC=C2C(=C1)NC(S2)S
  InChI: InChI=1S/C7H7NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4,7-9H
  InChIKey: PYVUUPVBIDIYPY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3266369
  TTD ID: D09DSZ

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.