Compound Detail
CHEMBL29691
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Basic Information
| ChEMBL ID | CHEMBL29691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCKFVYYCSDOULV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
1.00
ALogP
5
HBA
0
HBD
81.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 110.0 | nM | 6.96 | Vasorelaxation activity in the isolated endothelium-denuded rabbit aorta | 7837224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837224 | 10.1021/jm00001a018 | Rattus norvegicus | 3 |
| 7837224 | 10.1021/jm00001a018 | Oryctolagus cuniculus | 1 |
| 7837224 | 10.1021/jm00001a018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine