Details of the Drug

General Information of Drug (ID: DMORFZE)

Drug Name
(S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione
Synonyms CHEMBL318401; (S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione; BDBM50118934
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) 176.3
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H12N2S2
IUPAC Name
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propane-1-thione
Canonical SMILES
C[C@@H](C(=S)N1CCSC1)N
InChI
InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKey
NRUOPZCNSMPDPG-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
44328273
TTD ID
D0L5RI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Development of potent and selective dipeptidyl peptidase II inhibitors. Bioorg Med Chem Lett. 2002 Oct 21;12(20):2825-8.