Compound Detail
CHEMBL451811
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Basic Information
| ChEMBL ID | CHEMBL451811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXZVWKUAARNNIL-RMKNXTFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
4.42
ALogP
5
HBA
2
HBD
99.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta rin... | 18684623 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of voltage-dependent N-type calcium channel in human IMR32 cells asse... | 18684623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18684623 | 10.1016/j.bmcl.2008.07.096 | Unchecked | 1 |
| 18684623 | 10.1016/j.bmcl.2008.07.096 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine