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Compound Detail

CHEMBL5856027

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N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@](O)(CO)C1

Basic Information

ChEMBL ID CHEMBL5856027
Phase Preclinical
Structure Type MOL
InChI Key CMZUBDHMHFQVFV-ZWKOTPCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
1.44
ALogP
7
HBA
2
HBD
135.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2O6S2
MW 491.37
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL3119
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine