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

CHEMBL5563666

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
COc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(Cl)cc2)cc1

Basic Information

ChEMBL ID CHEMBL5563666
Phase Preclinical
Structure Type MOL
InChI Key GFJWCNXINVZNDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
5.05
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN2O4
MW 438.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
fMet-Leu-Phe receptor
CHEMBL3359
EC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
fMet-Leu-Phe receptor EC50 = 110.0 nM 6.96 Agonist activity at human FPR1 expressed in HL-60 cells assessed as increase in ... 38199163

Literature References

PubMed DOI Target Context # Activities
38199163 10.1016/j.ejmech.2023.115989 fMet-Leu-Phe receptor 1

Data from ChEMBL 36 via Core Engine