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

CHEMBL152492

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
COC(=O)C1Cc2cc(OC)c(OC)cc2CN1

Basic Information

ChEMBL ID CHEMBL152492
Phase Preclinical
Structure Type MOL
InChI Key XAVYTZMVMTXAEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
0.89
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.81
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 C13H17NO4
MW 251.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.51

Activity Summary

Ki 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine