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Compound Detail

CHEMBL1563514

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CC(C)(C)c1ccc(OCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1563514
Phase Preclinical
Structure Type MOL
InChI Key CRTUQWGGZDTMTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
4.00
ALogP
5
HBA
1
HBD
50.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O3S
MW 416.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.07

Activity Summary

EC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL5530
 EC50 5.71 5.71 1970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium voltage-gated channel subfamily KQT member 2 EC50 = 1970.0 nM 5.71 PUBCHEM_BIOASSAY: Mode of action assay-Automated electrophysiology assay of comp... -

Data from ChEMBL 36 via Core Engine