Compound Detail
CHEMBL2110167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1cc([N+](=O)[O-])ccc12
Basic Information
| ChEMBL ID | CHEMBL2110167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOSXQVHCZORUMF-RAQPGAAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.96
ALogP
8
HBA
1
HBD
111.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Ki | 5.3 | 5.3 | 5000.0 | 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-1C | Ki | = | 5000.0 | nM | 5.3 | Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine... | 2435904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2435904 | 10.1021/jm00387a019 | Rattus norvegicus | 1 |
| 2435904 | 10.1021/jm00387a019 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine