Compound Detail
CHEMBL257288
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CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL257288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZBVIDIUYCIRLX-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
6.59
ALogP
5
HBA
1
HBD
88.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 6.75 | 6.5133 | 180.0 | 3 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.68 | 5.5933 | 2100.0 | 3 |
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 | = | 180.0 | nM | 6.75 | Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 ... | 18160281 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 250.0 | nM | 6.6 | Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 ... | 18160281 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 650.0 | nM | 6.19 | Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 ... | 18160281 |
| Voltage-gated L-type calcium channel | IC50 | = | 2100.0 | nM | 5.68 | Antagonist activity at L-type calcium channel in rat aorta | 18160281 |
| Voltage-gated L-type calcium channel | IC50 | = | 2100.0 | nM | 5.68 | Antagonist activity at L-type calcium channel in rat aorta | 18160281 |
| Voltage-gated L-type calcium channel | IC50 | = | 3800.0 | nM | 5.42 | 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 | 3 |
| 18160281 | 10.1016/j.bmcl.2007.11.103 | Voltage-gated L-type calcium channel | 3 |
Data from ChEMBL 36 via Core Engine