Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL520854

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520854
Phase Preclinical
Structure Type MOL
InChI Key GNZRDOXHPJSICQ-GJZGRUSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
1.14
ALogP
5
HBA
1
HBD
93.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25FN4O3S
MW 396.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 31.0 nM 7.51 Inhibition of DPP4 in human plasma by fluorescence assay 18243000

Literature References

PubMed DOI Target Context # Activities
18243000 10.1016/j.bmc.2008.01.016 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine