Compound Detail
CHEMBL4282095
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Basic Information
| ChEMBL ID | CHEMBL4282095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCCJYTZXZLWZGO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
6.40
ALogP
5
HBA
0
HBD
45.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 8.7 | 7.8167 | 2.0 | 3 |
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 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decr... | 30337231 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 29.0 | nM | 7.54 | Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) express... | 30337231 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 61.0 | nM | 7.21 | Inhibition of low frequency stimulation-induced Cav2.2 (unknown origin) expresse... | 30337231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30337231 | 10.1016/j.bmcl.2018.10.007 | Voltage-dependent N-type calcium channel subunit alpha-1B | 3 |
Data from ChEMBL 36 via Core Engine