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Compound Detail

CHEMBL3353575

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CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncc(C(F)(F)F)cc2Cl)cc1

Basic Information

ChEMBL ID CHEMBL3353575
Phase Preclinical
Structure Type MOL
InChI Key NTXUMDYTLHJDCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.9
MW (Da)
4.51
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClF3N3O3S
MW 483.90
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 7.24 7.24 57.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 85.4 mL.min-1.kg-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25455182 10.1016/j.bmcl.2014.10.074 Transient receptor potential cation channel subfamily M member 8 1
25455182 10.1016/j.bmcl.2014.10.074 Liver microsome 1
25455182 10.1016/j.bmcl.2014.10.074 No relevant target 1

Data from ChEMBL 36 via Core Engine