Compound Detail
CHEMBL321372
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COc1c(C(C)(C)C)cc(C2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL321372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEGQVYKRFYKPBT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.8
MW (Da)
5.99
ALogP
7
HBA
0
HBD
60.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.44 | 6.72 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 36.0 | nM | 7.44 | Compound was tested in vitro for [Ca2+] antagonistic activity in K+-depolarized ... | 10447958 |
| Rattus norvegicus | IC50 | = | 1000.0 | nM | 6.0 | Compound was tested for [Ca2+] overload inhibitory activity in the veratridine-i... | 10447958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10447958 | 10.1021/jm9900927 | Rattus norvegicus | 2 |
| 10447958 | 10.1021/jm9900927 | Oryctolagus cuniculus | 2 |
Data from ChEMBL 36 via Core Engine