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Compound Detail

CHEMBL3901865

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COc1ccc2sc(SCCCCOc3c4ccoc4cc4oc(=O)ccc34)nc2c1

Basic Information

ChEMBL ID CHEMBL3901865
Phase Preclinical
Structure Type MOL
InChI Key YUVZONDOVFMIIX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
6.11
ALogP
8
HBA
0
HBD
74.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO5S2
MW 453.54
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.51

Activity Summary

EC50 2 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.46 7.46 35.0 1
Potassium voltage-gated channel subfamily A member 5
CHEMBL4306
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine