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Compound Detail

CHEMBL5765985

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CN(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5765985
Phase Preclinical
Structure Type MOL
InChI Key DQOGUFZXYQKPDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
2.53
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21F3N6O3
MW 438.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily V member 1 IC50 = 6.0 nM 8.22 calcium assay: Capsaicin (0.3 μM) caused an increase in [Ca2+] in the vast major... -

Data from ChEMBL 36 via Core Engine