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

CHEMBL3942715

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#Cc1ccc2ccc3c(c2c1)C[C@@H](N)[C@H](c1cc(F)c(F)cc1F)O3

Basic Information

ChEMBL ID CHEMBL3942715
Phase Preclinical
Structure Type MOL
InChI Key SVNYWTMKYBTEHJ-QUCCMNQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
4.13
ALogP
3
HBA
1
HBD
59.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F3N2O
MW 354.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 6.69 6.69 205.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27396490 10.1021/acs.jmedchem.6b00505 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine