Compound Detail
CHEMBL4292697
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4292697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMWUDKRLIKGGBO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.87
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 9.0 | 7.6533 | 1.0 | 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 | = | 1.0 | nM | 9.0 | Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decr... | 30337231 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 85.0 | nM | 7.07 | Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) express... | 30337231 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 130.0 | nM | 6.89 | 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