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Compound Detail

CHEMBL4243028

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CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1

Basic Information

ChEMBL ID CHEMBL4243028
Phase Preclinical
Structure Type MOL
InChI Key CWSNOULDWJNPDR-NQLNTKRDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.7
MW (Da)
8.39
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H49NO3
MW 471.73
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.45

Activity Summary

IC50 2 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 2
CHEMBL2863
IC50 6.09 5.92 820.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30176215 10.1021/acs.jmedchem.8b00734 Transient receptor potential cation channel subfamily V member 2 2

Data from ChEMBL 36 via Core Engine