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Compound Detail

CHEMBL191198

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CC(/C=C/C=C(C)/C=C/C1=CCCCC1(C)C)=C\C=O

Basic Information

ChEMBL ID CHEMBL191198
Phase Preclinical
Structure Type MOL
InChI Key UGRVRQHFDUGWJO-CJWUBFFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
5.33
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O
MW 270.42
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.03

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 4.76 4.76 17490.0 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