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Compound Detail

CHEMBL77926

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COc1c(C(=O)/C=C/c2cc(Br)cs2)c(O)c(OC)c2occc12

Basic Information

ChEMBL ID CHEMBL77926
Phase Preclinical
Structure Type MOL
InChI Key VASOZZCCIPIYAT-ONEGZZNKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
4.88
ALogP
6
HBA
1
HBD
68.9
PSA (Ų)
0.48
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 C17H13BrO5S
MW 409.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.48

Activity Summary

Kd 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
Kd 6.1 6.1 800.0 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

Data from ChEMBL 36 via Core Engine