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

CHEMBL4251381

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
CC(C)CCc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4251381
Phase Preclinical
Structure Type MOL
InChI Key ZGCLHZNRQPZJTL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.10
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O5
MW 342.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.67

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
 IC50 6.32 6.32 480.0 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 = 480.0 nM 6.32 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 Voltage-dependent T-type calcium channel subunit alpha-1H 2

Data from ChEMBL 36 via Core Engine