Compound Detail
CHEMBL4800369
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Basic Information
| ChEMBL ID | CHEMBL4800369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKSWCLIWZYBHCV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4804130 |
| Active Moiety | CHEMBL4804130 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.91
ALogP
4
HBA
3
HBD
112.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human Cav3 expressed in HEK293 cells by whole cell patch clamp ele... | 32828422 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human Cav2.2 expressed in HEK293 cells by whole cell patch clamp e... | 32828422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32828422 | 10.1016/j.bmc.2020.115655 | Voltage-dependent N-type calcium channel subunit alpha-1B | 2 |
| 32828422 | 10.1016/j.bmc.2020.115655 | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
| 32828422 | 10.1016/j.bmc.2020.115655 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine