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

CHEMBL1814293

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
COc1ccc(-c2cc(CCO)ccc2O)cc1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814293
Phase Preclinical
Structure Type MOL
InChI Key GRLFHZWPVDZZAC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.14
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20O4
MW 288.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.71

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21699169 10.1021/jm200186n GABA-A receptor; GABA-A site (alpha1/beta2 interface) 3
21699169 10.1021/jm200186n No relevant target 1

Data from ChEMBL 36 via Core Engine