Compound Detail
CHEMBL2418804
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Basic Information
| ChEMBL ID | CHEMBL2418804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKXRYBQRAAUEOI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.92
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 6 CHEMBL2417347 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Short transient receptor potential channel 3 CHEMBL2417348 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 6 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed a... | 23886683 |
| Short transient receptor potential channel 3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed a... | 23886683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23886683 | 10.1016/j.bmcl.2013.06.047 | Short transient receptor potential channel 6 | 1 |
| 23886683 | 10.1016/j.bmcl.2013.06.047 | Short transient receptor potential channel 3 | 1 |
Data from ChEMBL 36 via Core Engine