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Compound Detail

CHEMBL281070

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O/N=C(/c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL281070
Phase Preclinical
Structure Type MOL
InChI Key PJRQJONCVNTKQG-MOHJPFBDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
5.61
ALogP
4
HBA
1
HBD
41.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F4NO2S
MW 399.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 280.0 nM 6.55 In vitro inhibitory activity against LTB4 synthesis in A-23187 stimulated human ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00578-H Homo sapiens 1
- 10.1016/0960-894X(95)00578-H No relevant target 1

Data from ChEMBL 36 via Core Engine