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Compound Detail

CHEMBL5087298

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O=c1c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c(Nc2cccc(F)c2Cl)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087298
Phase Preclinical
Structure Type MOL
InChI Key CZTYIAYMFJURSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
2.99
ALogP
7
HBA
3
HBD
112.6
PSA (Ų)
0.43
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 C19H14ClFN2O5S
MW 436.85
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 2
CHEMBL2434
 IC50 5.46 5.46 3450.0 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 = 3450.0 nM 5.46 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