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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL570797
TTD ID
D09DSZ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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