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Compound Detail

CHEMBL5861961

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C[C@@](O)(CNC(=O)c1nc(-c2ccc(F)cc2)c(C(F)(F)F)cc1N)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5861961
Phase Preclinical
Structure Type MOL
InChI Key TZBFDPNSDFVMAL-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
3.53
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F7N3O2
MW 425.30
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cystic fibrosis transmembrane conductance regulator
CHEMBL4051
 EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cystic fibrosis transmembrane conductance regulator EC50 = 60.0 nM 7.22 Potentiator Assay: Fischer Rat Thyroid (FRT) epithelial cells, stably expressing... -

Data from ChEMBL 36 via Core Engine