Compound Detail
CHEMBL172846
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Basic Information
| ChEMBL ID | CHEMBL172846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKMFLJITEODAKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.38
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 28.0 | nM | 7.55 | Ability to stimulate peripheral prejunctional dopaminergic receptors by 50% inhi... | 3712384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3712384 | 10.1021/jm00156a010 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine