Compound Detail
CHEMBL101608
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
CCCNC(=O)n1c(=O)cc2n1C(c1cccc([N+](=O)[O-])c1)/C(=C(/O)OC(C)C)C(C)=N2
Basic Information
| ChEMBL ID | CHEMBL101608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLZCHNUYOVRLRK-ZZEZOPTASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.42
ALogP
9
HBA
2
HBD
141.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 23.0 | nM | 7.64 | Compound was evaluated for vasorelaxant activity determined using potassium-depo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80810-6 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine