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Compound Detail

CHEMBL238815

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CCc1oc2ccccc2c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238815
Phase Preclinical
Structure Type MOL
InChI Key WSRQPWVZPAULML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
2.06
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10O3
MW 190.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX12 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15B 1

Data from ChEMBL 36 via Core Engine