Compound Detail
CHEMBL402197
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CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL402197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHVDJJHSTCLMHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
515.0
MW (Da)
5.06
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 540.0 | nM | 6.27 | Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 ... | 18160281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Voltage-gated L-type calcium channel | 1 |
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine