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Compound Detail

CHEMBL306357

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CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL306357
Phase Preclinical
Structure Type MOL
InChI Key WFBICXYLRIBIJX-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.84
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O3
MW 310.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.21

Activity Summary

IC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor
CHEMBL2095160
IC50 4.77 4.685 17000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00414-9 Leukotriene B4 receptor 2

Data from ChEMBL 36 via Core Engine