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Compound Detail

CHEMBL3696410

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CC(C)[C@H](CO)NCc1nc(-c2cc(F)cc(F)c2)ccc1F

Basic Information

ChEMBL ID CHEMBL3696410
Phase Preclinical
Structure Type MOL
InChI Key UTHDVJGGKFYJNO-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.27
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.86
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 C17H19F3N2O
MW 324.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine