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Compound Detail

CHEMBL3900167

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Cc1c(N(Cc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900167
Phase Preclinical
Structure Type MOL
InChI Key KESCNGKZZNTRET-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.0
MW (Da)
6.10
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClFNO4S2
MW 489.98
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential M8 protein
CHEMBL1667665
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential M8 protein IC50 = 0.6 nM 9.22 Functional Assay: The functional activity of compounds of the formula (I) was de... -

Data from ChEMBL 36 via Core Engine