Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL22585

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cccc(C=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22585
Phase Preclinical
Structure Type MOL
InChI Key WMPDAIZRQDCGFH-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.51
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O2
MW 136.15
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.25

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
26986086 10.1016/j.ejmech.2016.03.008 Unchecked 11
12657256 10.1016/s0960-894x(03)00112-4 Ovis aries 2
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
26986086 10.1016/j.ejmech.2016.03.008 No relevant target 1
31097402 10.1016/j.bmc.2019.05.001 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine