Compound Detail
CHEMBL4246908
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Basic Information
| ChEMBL ID | CHEMBL4246908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLKLUVCTWAEGQD-YVWHIFIASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.56
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Artery CHEMBL4296528 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | EC50 | = | 12000.0 | nM | 4.92 | Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order m... | 30049584 |
| Artery | EC50 | = | 37000.0 | nM | 4.43 | Vasorelaxant activity in Wistar rat endothelium-denuded 3rd-order mesenteric art... | 30049584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30049584 | 10.1016/j.bmc.2018.07.035 | Voltage-gated L-type calcium channel | 4 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | L-type calcium channel | 2 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | Unchecked | 2 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | Artery | 2 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | MCF7 | 1 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | A549 | 1 |
| 30049584 | 10.1016/j.bmc.2018.07.035 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine