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

CHEMBL4437462

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
O=C(c1cccc2c1C(=O)N(Cc1ccccc1)C2)N1CC[C@H](F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437462
Phase Preclinical
Structure Type MOL
InChI Key JPGSWTGOWGUNKM-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.03
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN2O2
MW 338.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
 Ki 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase Ki = 290.0 nM 6.54 Inhibition of recombinant human POP pre-incubated for 30 mins before addition of... 31393718

Literature References

PubMed DOI Target Context # Activities
31393718 10.1021/acs.jmedchem.9b00642 Prolyl endopeptidase 1
31393718 10.1021/acs.jmedchem.9b00642 Prolyl endopeptidase FAP 1

Data from ChEMBL 36 via Core Engine