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Compound Detail

CHEMBL4238346

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O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(CC=C3CCCC3)c(O)c21

Basic Information

ChEMBL ID CHEMBL4238346
Phase Preclinical
Structure Type MOL
InChI Key IALKZQGOEOFEMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.55
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
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 C22H22O5
MW 366.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.73

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

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