Compound Detail
CHEMBL110023
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)N1C(=S)N=C(C)/C(=C(/O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL110023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLIXJRJKLPQLIE-XTQSDGFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
4.77
ALogP
8
HBA
1
HBD
117.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 34.0 | nM | 7.47 | In vitro inhibition of potassium-contracted rabbit aorta strips | 1387168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1387168 | 10.1021/jm00095a023 | Oryctolagus cuniculus | 1 |
| 1387168 | 10.1021/jm00095a023 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine