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Compound Detail

CHEMBL29414

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COc1ccc(N2CCCC(=O)N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29414
Phase Preclinical
Structure Type MOL
InChI Key PCITWLGFJRGOSA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.33
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
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 C11H14N2O2
MW 206.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

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