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Compound Detail

CHEMBL190554

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CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1Br

Basic Information

ChEMBL ID CHEMBL190554
Phase Preclinical
Structure Type MOL
InChI Key SLBOERUXPVAHIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
4.53
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26BrNO3
MW 372.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 7.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 7.79 7.79 16.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16000002 10.1021/jm050139q Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine