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Compound Detail

CHEMBL307287

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CNC(=O)C(C)(C)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O

Basic Information

ChEMBL ID CHEMBL307287
Phase Preclinical
Structure Type MOL
InChI Key JYBRGQRNKFVJDJ-HNAYVOBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.90
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 C21H25NO3
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.56

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor
CHEMBL2095160
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor IC50 = 1500.0 nM 5.82 Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils -

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