Compound Detail
CHEMBL1377580
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Basic Information
| ChEMBL ID | CHEMBL1377580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYLSWFOHDJRUGQ-GDNBJRDFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.66
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
EC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.22 | 5.22 | 6027.0 | 1 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 5.14 | 4.87 | 7200.0 | 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 |
| 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