Compound Detail
CHEMBL550448
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Basic Information
| ChEMBL ID | CHEMBL550448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDWQUIRYUSZBIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.43
ALogP
6
HBA
2
HBD
69.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL5107 | EC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B | EC50 | = | 76000.0 | nM | 4.12 | Inhibition of rat neuronal Cav2.2 channel | 19362476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19362476 | 10.1016/j.bmcl.2009.03.130 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
Data from ChEMBL 36 via Core Engine