Compound Detail
CHEMBL90916
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CO/C(O)=C1/C(C)=NC(C)=C([N+](=O)[O-])C1c1ccccc1OCc1no[n+]([O-])c1C#N
Basic Information
| ChEMBL ID | CHEMBL90916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJHDNCRKDURYCE-MNDPQUGUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
2.24
ALogP
10
HBA
1
HBD
170.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.68 | 5.7533 | 210.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 210.0 | nM | 6.68 | Capacity to increase [Ca2+] entry into the vascular smooth muscle was evaluated ... | 15115410 |
| Rattus norvegicus | EC50 | = | 5000.0 | nM | 5.3 | Positive inotropic activity on rat papillary muscle electrically stimulated by u... | 15115410 |
| Rattus norvegicus | EC50 | = | 5200.0 | nM | 5.28 | Positive inotropic activity on rat papillary muscle electrically stimulated by u... | 15115410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115410 | 10.1021/jm031109v | Rattus norvegicus | 6 |
| 15115410 | 10.1021/jm031109v | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine