Compound Detail
CHEMBL599833
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Basic Information
| ChEMBL ID | CHEMBL599833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAEWMWAZJFGSNI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.5
MW (Da)
7.45
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1G CHEMBL4641 | IC50 | 8.4 | 7.94 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1G | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human alpha1G T-type calcium channel expressed in HEK293 cells ass... | - |
| Voltage-dependent T-type calcium channel subunit alpha-1G | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human alpha1G T-type calcium channel expressed in HEK293 cells ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20117000 | 10.1016/j.bmcl.2010.01.008 | N-type calcium channel alpha-1b/alpha2delta-1/beta-1b | 1 |
| 20117000 | 10.1016/j.bmcl.2010.01.008 | Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b | 1 |
Data from ChEMBL 36 via Core Engine