Compound Detail
CHEMBL103830
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COc1cc(C(C)=O)ccc1OCCCN1CCC(CC(C#N)(c2ccc(F)cc2)c2ccc(F)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL103830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFFVDAYHOJUHQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
6.17
ALogP
5
HBA
0
HBD
62.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 10.0 | nM | 8.0 | Calcium channel-blocking activity by determined by ability to antagonize calcium... | 1920352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920352 | 10.1021/jm00114a009 | Rattus norvegicus | 2 |
| 1920352 | 10.1021/jm00114a009 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine