Compound Detail
CHEMBL278804
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COc1ccc([C@@H]2Sc3ccc(Cl)cc3-n3c(CN(C)C)ccc3[C@@H]2OC(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL278804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEDSMTGXXDIVMG-ZEQRLZLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
5.65
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 3.311 | nM | 8.48 | Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho... | 9016337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016337 | 10.1021/jm9605647 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
Data from ChEMBL 36 via Core Engine