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Compound Detail

CHEMBL6046959

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COc1ccc(S(=O)(=O)n2cc(C#N)c3ccccc32)cc1N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6046959
Phase Preclinical
Structure Type MOL
InChI Key RGAHPZKGWMVENE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.51
ALogP
7
HBA
0
HBD
78.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O3S
MW 410.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
 IC50 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 IC50 = 0.59 nM 9.23 Biological Assay: The binding affinity of the compound of this invention to huma... -

Data from ChEMBL 36 via Core Engine