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Compound Detail

CHEMBL2430155

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O=C1O/C(=C\Cc2ccccc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL2430155
Phase Preclinical
Structure Type MOL
InChI Key BEZYRANPMJKSGR-PTNGSMBKSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
3.44
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O2
MW 236.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.75

Activity Summary

IC50 3 meas. best 5.62
EC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL5011
IC50 5.62 5.49 2400.0 2
Transient receptor potential cation channel subfamily A member 1
CHEMBL5160
EC50 5.51 5.51 3100.0 1
Transient receptor potential cation channel subfamily A member 1
CHEMBL5160
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23993334 10.1016/j.bmcl.2013.08.039 Transient receptor potential cation channel subfamily M member 8 4
23993334 10.1016/j.bmcl.2013.08.039 Transient receptor potential cation channel subfamily A member 1 3

Data from ChEMBL 36 via Core Engine