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Compound Detail

CHEMBL54169

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CCc1cc(/C=C/c2ccc(C)cc2)cc(CC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54169
Phase Preclinical
Structure Type MOL
InChI Key IOSAMLXVFRJCAQ-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
5.00
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.77
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 C19H22O
MW 266.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.14

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