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Compound Detail

CHEMBL5879568

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COc1ccc(S(=O)(=O)n2ccc3cc(Cl)ccc32)cc1N1CCNCC1

Basic Information

ChEMBL ID CHEMBL5879568
Phase Preclinical
Structure Type MOL
InChI Key AGICVBPYMFVDAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
2.95
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN3O3S
MW 405.91
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine