Compound Detail
CHEMBL2418810
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Basic Information
| ChEMBL ID | CHEMBL2418810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODUIXUGXPFKQLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
5.25
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.79
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 6 CHEMBL2417347 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Short transient receptor potential channel 3 CHEMBL2417348 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 6 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed a... | 23886683 |
| Short transient receptor potential channel 3 | IC50 | = | 250.0 | nM | 6.6 | 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