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

CHEMBL510073

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
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)CN1CCCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510073
Phase Preclinical
Structure Type MOL
InChI Key YMKXMDJCLXUHNZ-NWDGAFQWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
0.39
ALogP
4
HBA
2
HBD
95.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25F3N4O3
MW 378.40
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness -0.66

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 6.92 6.92 120.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 120.0 nM 6.92 Inhibition of DPP4 18524582
Dipeptidyl peptidase 8 IC50 = 15000.0 nM 4.82 Inhibition of DPP8 18524582

Literature References

PubMed DOI Target Context # Activities
18524582 10.1016/j.bmcl.2008.05.061 Dipeptidyl peptidase 4 1
18524582 10.1016/j.bmcl.2008.05.061 Dipeptidyl peptidase 8 1

Data from ChEMBL 36 via Core Engine