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

CHEMBL4249364

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
CCC(=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1O)O2)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4249364
Phase Preclinical
Structure Type MOL
InChI Key ATJZZFGWYRTNFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.80
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24O5
MW 368.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.92

Activity Summary

IC50 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
 IC50 6.41 6.41 390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 390.0 nM 6.41 Inhibition of human CaV3.2 expressed in HEK293 cells assessed as suppression of ... 30031654

Literature References

PubMed DOI Target Context # Activities
30031654 10.1016/j.bmc.2018.07.023 Mus musculus 2
30031654 10.1016/j.bmc.2018.07.023 Voltage-dependent T-type calcium channel subunit alpha-1H 2

Data from ChEMBL 36 via Core Engine