Compound Detail
CHEMBL545229
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 | CHEMBL545229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUEKXTHYRJAIPF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193766 |
| Active Moiety | CHEMBL1193766 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
3.39
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 2600.0 | nM | 5.58 | In vitro dose stimulating D-1 adenylate cyclase in rat caudate nuclei | 2878077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878077 | 10.1021/jm00161a029 | Canis familiaris | 5 |
| 2878077 | 10.1021/jm00161a029 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine