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Compound Detail

CHEMBL489399

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CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ccccc3F)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489399
Phase Preclinical
Structure Type MOL
InChI Key ADPNZLSZYGYWSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.90
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN2O
MW 352.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 IC50 6.58 6.58 265.0 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 = 265.0 nM 6.58 Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells a... 18722778

Literature References

PubMed DOI Target Context # Activities
18722778 10.1016/j.bmc.2008.08.005 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine