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Compound Detail

CHEMBL235786

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O=C(O)Cc1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235786
Phase Preclinical
Structure Type MOL
InChI Key BVRNERFWPQRVJB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
1.08
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10O4
MW 194.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.26

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17517512 10.1016/j.bmc.2007.04.050 Rattus norvegicus 4
17517512 10.1016/j.bmc.2007.04.050 Dehydrogenase/reductase SDR family member 9 2
17517512 10.1016/j.bmc.2007.04.050 Prostaglandin G/H synthase 1 1
17517512 10.1016/j.bmc.2007.04.050 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine