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Compound Detail

CHEMBL1095380

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O=C(O)c1cc(/C=C/c2ccc(O)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095380
Phase Preclinical
Structure Type MOL
InChI Key NQJNFLIEJNBROH-OWOJBTEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.97
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O4
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20106565 10.1016/j.ejmech.2009.12.076 Caco-2 2
26850006 10.1016/j.bmcl.2016.01.069 No relevant target 1
26850006 10.1016/j.bmcl.2016.01.069 Prostaglandin G/H synthase 2 1
26850006 10.1016/j.bmcl.2016.01.069 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine