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Compound Detail

CHEMBL1929085

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CC(=O)c1cc(C(=O)/C=C/C=C/c2ccccc2)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929085
Phase Preclinical
Structure Type MOL
InChI Key XQGJGIHVARYARV-NXZHAISVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.75
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O4
MW 308.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22115618 10.1016/j.ejmech.2011.10.026 A549 1
22115618 10.1016/j.ejmech.2011.10.026 DU-145 1
22115618 10.1016/j.ejmech.2011.10.026 KB 1
22115618 10.1016/j.ejmech.2011.10.026 NON-PROTEIN TARGET 1
22115618 10.1016/j.ejmech.2011.10.026 Nitric oxide synthase, inducible 1
22115618 10.1016/j.ejmech.2011.10.026 Unchecked 1
22115618 10.1016/j.ejmech.2011.10.026 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine