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Compound Detail

CHEMBL3692262

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CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1F

Basic Information

ChEMBL ID CHEMBL3692262
Phase Preclinical
Structure Type MOL
InChI Key URLJSXYSSULYME-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
3.17
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.67
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 C22H30FN3O3S
MW 435.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine