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Compound Detail

CHEMBL5965554

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

Basic Information

ChEMBL ID CHEMBL5965554
Phase Preclinical
Structure Type MOL
InChI Key DOVVSHMLCFFGGB-SECBINFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.2
MW (Da)
2.74
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10F9N3O2
MW 399.21
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cystic fibrosis transmembrane conductance regulator
CHEMBL4051
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cystic fibrosis transmembrane conductance regulator EC50 = 10.0 nM 8.0 Potentiator Assay: Fischer Rat Thyroid (FRT) epithelial cells, stably expressing... -

Data from ChEMBL 36 via Core Engine