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Compound Detail

CHEMBL483866

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COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1

Basic Information

ChEMBL ID CHEMBL483866
Phase Preclinical
Structure Type MOL
InChI Key MYGZEMZLHJZCHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
4.61
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO2
MW 303.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 6.83 6.83 147.0 1

Activity Data Samples

Top measurements by pChEMBL value

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