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Compound Detail

CHEMBL78293

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COc1c(C(C)=O)c(O)c(OC)c2occc12

Basic Information

ChEMBL ID CHEMBL78293
Phase Preclinical
Structure Type MOL
InChI Key GEUAWNMVARSYHO-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
2.36
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12O5
MW 236.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 1.51

Activity Summary

EC50 1 meas. best 4.35
Kd 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4818
EC50 4.35 4.35 45000.0 1
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
Kd 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15084131 10.1021/jm030523s Potassium voltage-gated channel subfamily A member 3 1
16480279 10.1021/jm050839v Potassium voltage-gated channel subfamily A member 3 1

Data from ChEMBL 36 via Core Engine