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

CHEMBL5089049

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
Cc1c(F)cccc1Nc1c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c(=O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089049
Phase Preclinical
Structure Type MOL
InChI Key YSUKXNRKIXNWMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
2.72
ALogP
7
HBA
3
HBD
112.6
PSA (Ų)
0.44
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 C20H15FN2O5S
MW 414.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 2
CHEMBL2434
 IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-X-C chemokine receptor type 2 IC50 = 370.0 nM 6.43 Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibit... 34676759

Literature References

PubMed DOI Target Context # Activities
34676759 10.1021/acs.jmedchem.1c01219 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine