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Compound Detail

CHEMBL469757

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CCCC1C(C(=O)SCCc2ccccc2)=C(C)NC(c2ccccc2)=C1C(=O)OCC

Basic Information

ChEMBL ID CHEMBL469757
Phase Preclinical
Structure Type MOL
InChI Key SUYKVUOLPAAYLK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.76
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO3S
MW 449.62
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 4.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
EC50 4.56 4.56 27600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18809334 10.1016/j.bmc.2008.08.048 Transient receptor potential cation channel subfamily V member 1 5

Data from ChEMBL 36 via Core Engine