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Compound Detail

CHEMBL27409

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CCc1cccc(N2CCCC(=O)N2)c1

Basic Information

ChEMBL ID CHEMBL27409
Phase Preclinical
Structure Type MOL
InChI Key LILKSUQBZQVUOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
1.88
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.80
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 C12H16N2O
MW 204.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 3000.0 nM 5.52 Inhibitory activity against 5-lipoxygenase. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80512-0 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine