Compound Detail
CHEMBL286157
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
CCCCCCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL286157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTPUGBNEQXUNRV-YYDJUVGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
6.14
ALogP
7
HBA
1
HBD
111.3
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | IC50 | = | 0.01 | nM | 11.0 | Inhibition of [3H]nitrendipine binding to L-type calcium channel of guinea pig i... | 2840498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2840498 | 10.1021/jm00403a002 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine