Details of the Drug

General Information of Drug (ID: DM16N7Z)

Drug Name
(S)-pyrrolidin-2-yl(thiazolidin-3-yl)methanone
Synonyms CHEMBL224435; (S)-pyrrolidin-2-yl(thiazolidin-3-yl)methanone; SCHEMBL2711156
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) 186.28
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H14N2OS
IUPAC Name
[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
Canonical SMILES
C1C[C@H](NC1)C(=O)N2CCSC2
InChI
InChI=1S/C8H14N2OS/c11-8(7-2-1-3-9-7)10-4-5-12-6-10/h7,9H,1-6H2/t7-/m0/s1
InChIKey
GTTPYCGIEGLJPF-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
44422449
TTD ID
D0R5OE

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 [(S)-gamma-(4-Aryl-1-piperazinyl)-l-prolyl]thiazolidines as a novel series of highly potent and long-lasting DPP-IV inhibitors. Bioorg Med Chem Lett. 2007 May 1;17(9):2618-21.