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

CHEMBL5174024

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
Cc1cc2c(cc1O)C(=O)[C@](C)(c1ccc(O)c(O)c1)C=C2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174024
Phase Preclinical
Structure Type MOL
InChI Key JWCZZPBZFUGRJS-NRFANRHFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.31
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22O4
MW 338.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.29

Activity Summary

IC50 2 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.72 5.405 1910.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1910.0 nM 5.72 Neuroprotective activity in primary neocortical neuron (unknown origin) assessed... 34957832
Unchecked IC50 = 8030.0 nM 5.09 Neuroprotective activity in primary neocortical neuron (unknown origin) assessed... 34957832

Literature References

PubMed DOI Target Context # Activities
34957832 10.1021/acs.jnatprod.1c00978 Unchecked 2

Data from ChEMBL 36 via Core Engine