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Compound Detail

CHEMBL6014633

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Cc1ccc(-c2nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc2C(F)(F)F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6014633
Phase Preclinical
Structure Type MOL
InChI Key HZEFBJDLLZEVBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
3.10
ALogP
5
HBA
3
HBD
101.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F6N4O2
MW 422.33
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cystic fibrosis transmembrane conductance regulator
CHEMBL4051
 EC50 7.29 7.29 51.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cystic fibrosis transmembrane conductance regulator EC50 = 51.0 nM 7.29 Potentiator Assay: Fischer Rat Thyroid (FRT) epithelial cells, stably expressing... -

Data from ChEMBL 36 via Core Engine