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Compound Detail

CHEMBL3696452

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CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(Cl)c2)ccc1F

Basic Information

ChEMBL ID CHEMBL3696452
Phase Preclinical
Structure Type MOL
InChI Key OJGCLTFQCOTNGA-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
3.79
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.84
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 C17H19ClF2N2O
MW 340.80
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine