Compound Detail
CHEMBL291768
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
Basic Information
| ChEMBL ID | CHEMBL291768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGOWUPPVYHMIRR-UMNHJUIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.69
ALogP
4
HBA
3
HBD
99.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 90.0 | nM | 7.05 | Compound was tested for vasorelaxant activity on the basis of ability to relax e... | 8027980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289193 | 10.1021/jm00027a003 | Rattus norvegicus | 3 |
| 8027980 | 10.1021/jm00039a011 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine