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Compound Detail

CHEMBL475358

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CC(C)(C)c1ccc(CNC(=S)NC2CCCc3cc(NS(C)(=O)=O)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL475358
Phase Preclinical
Structure Type MOL
InChI Key WCENFABVIZISMS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
4.40
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2S2
MW 445.65
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.39

Activity Summary

Ki 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
Ki 5.8 5.69 1590.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18406014 10.1016/j.ejmech.2008.02.026 Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine