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Compound Detail

CHEMBL3694597

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(CNS(C)(=O)=O)cc1

Basic Information

ChEMBL ID CHEMBL3694597
Phase Preclinical
Structure Type MOL
InChI Key YEVUHVYKRDXVSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
3.17
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27F3N4O3S
MW 484.54
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.59

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
Ki 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine