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Compound Detail

CHEMBL5973765

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CN(C)c1cc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1OCC(=O)N2

Basic Information

ChEMBL ID CHEMBL5973765
Phase Preclinical
Structure Type MOL
InChI Key NEPJFAHBBJEELA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.42
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N4O3
MW 408.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine