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Compound Detail

CHEMBL56196

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Cc1cc(/C=C/c2ccc3ccccc3c2)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56196
Phase Preclinical
Structure Type MOL
InChI Key VWQQBVOUYSNLMV-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
5.33
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18O
MW 274.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.17

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