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Compound Detail

CHEMBL4643549

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CC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643549
Phase Preclinical
Structure Type MOL
InChI Key BZNBCROCSPOFSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.97
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2S2
MW 430.60
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.21

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
 IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 IC50 = 14000.0 nM 4.85 Antagonist activity at 5-HT6 receptor (unknown origin) 30496988

Literature References

PubMed DOI Target Context # Activities
30496988 10.1016/j.ejmech.2018.11.017 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine