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Compound Detail

CHEMBL56283

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Cc1cc(/C=C/c2ccccc2OCc2ccccc2)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56283
Phase Preclinical
Structure Type MOL
InChI Key RFVYAOYWQFRMRO-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
5.76
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O2
MW 330.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 3
2113949 10.1021/jm00169a010 Cyclooxygenase 3

Data from ChEMBL 36 via Core Engine