Compound Detail
CHEMBL272127
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CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)OCc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL272127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGLMGVIECOIIOJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.1
MW (Da)
4.74
ALogP
7
HBA
2
HBD
131.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 4.77 | 4.77 | 17000.0 | 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 | = | 420.0 | nM | 6.38 | Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 ... | 18160281 |
| Voltage-gated L-type calcium channel | IC50 | = | 17000.0 | nM | 4.77 | Antagonist activity at L-type calcium channel in rat aorta | 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 | 2 |
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Unchecked | 1 |
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine