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Compound Detail

CHEMBL5934576

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COc1ccc(S(=O)(=O)n2ccc3cc(Cl)ccc32)cc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL5934576
Phase Preclinical
Structure Type MOL
InChI Key KYVIZZWGTHFYOH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
3.29
ALogP
6
HBA
0
HBD
54.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O3S
MW 419.93
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine