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Compound Detail

CHEMBL24298

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CN(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL24298
Phase Preclinical
Structure Type MOL
InChI Key BVXHKFRCTLLFTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.92
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO2
MW 265.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 4500.0 nM 5.35 In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80236-X Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine