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Compound Detail

CHEMBL67365

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O=C1O/C(=C\c2ccccc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL67365
Phase Preclinical
Structure Type MOL
InChI Key YRTPZXMEBGTPLM-UVTDQMKNSA-N
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
3.36
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10O2
MW 222.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.28

Activity Summary

IC50 4 meas. best 5.54
EC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily A member 1
CHEMBL5160
IC50 5.54 5.54 2900.0 1
Transient receptor potential cation channel subfamily A member 1
CHEMBL5160
EC50 5.52 5.52 3000.0 1
Transient receptor potential cation channel subfamily M member 8
CHEMBL5011
IC50 5.08 5.035 8300.0 2

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
11591517 10.1016/s0960-894x(01)00562-5 Trypanosoma cruzi 3
23993334 10.1016/j.bmcl.2013.08.039 Transient receptor potential cation channel subfamily A member 1 3
11591517 10.1016/s0960-894x(01)00562-5 Unchecked 1
11514152 10.1016/s0960-894x(01)00387-0 Leishmania braziliensis 1
11514152 10.1016/s0960-894x(01)00387-0 Leishmania amazonensis 1
11514152 10.1016/s0960-894x(01)00387-0 Leishmania donovani 1

Data from ChEMBL 36 via Core Engine