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Compound Detail

CHEMBL6004216

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Cc1cc(N2CCCc3sc(Cl)cc3C2)cc(C)c1NC(=O)CC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6004216
Phase Preclinical
Structure Type MOL
InChI Key MSARQNSLZAOMMA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.0
MW (Da)
6.35
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29ClN2OS
MW 405.01
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.68

Activity Summary

EC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
 EC50 7.64 7.64 23.0 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 = 23.0 nM 7.64 FluxOR potassium ion channel assay: Cell preparation: CHO-KCNQ2 cells were cultu... -

Data from ChEMBL 36 via Core Engine