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

CHEMBL4438210

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
CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(F)cc2C(=O)O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438210
Phase Preclinical
Structure Type MOL
InChI Key BBCDASHVLSBESX-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
0.85
ALogP
7
HBA
2
HBD
110.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23FN4O4
MW 414.44
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 8.12 8.12 7.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 7.6 nM 8.12 Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insec... 30642693

Literature References

PubMed DOI Target Context # Activities
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 4 3
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 8 1
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 9 1

Data from ChEMBL 36 via Core Engine