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Compound Detail

CHEMBL373333

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CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC=O

Basic Information

ChEMBL ID CHEMBL373333
Phase Preclinical
Structure Type MOL
InChI Key XTZSIVLWZNRBAB-CGRWFSSPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.5
MW (Da)
6.33
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32O
MW 288.48
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.27

Activity Summary

IC50 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 7.29 7.29 51.0 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