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Compound Detail

CHEMBL123157

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C=C(C)[C@H]1CC=C(C(=O)NCc2ccc(O)c(OC)c2)CC1

Basic Information

ChEMBL ID CHEMBL123157
Phase Preclinical
Structure Type MOL
InChI Key YJPBPTUTOHNSTA-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.32
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO3
MW 301.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.58

Activity Summary

EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
EC50 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12166946 10.1021/jm020844o Transient receptor potential cation channel subfamily V member 1 2

Data from ChEMBL 36 via Core Engine