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

CHEMBL4763673

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
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)cc2)c(F)c1

Basic Information

ChEMBL ID CHEMBL4763673
Phase Preclinical
Structure Type MOL
InChI Key JDZYRVFPDFZSMG-GUYCJALGSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.69
ALogP
3
HBA
3
HBD
79.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F2N3O3
MW 375.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.77

Activity Summary

EC50 3 meas. best 9.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 9.07 8.885 0.9 2
fMet-Leu-Phe receptor
CHEMBL3359
EC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32407089 10.1021/acs.jmedchem.9b02101 N-formyl peptide receptor 2 1
32407089 10.1021/acs.jmedchem.9b02101 fMet-Leu-Phe receptor 1
32407089 10.1021/acs.jmedchem.9b02101 Unchecked 1
33486199 10.1016/j.ejmech.2021.113167 N-formyl peptide receptor 2 1
33486199 10.1016/j.ejmech.2021.113167 Mus musculus 1

Data from ChEMBL 36 via Core Engine