Compound Detail
CHEMBL545230
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Basic Information
| ChEMBL ID | CHEMBL545230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHNDQUXXVRNRC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193767 |
| Active Moiety | CHEMBL1193767 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.51
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 40.0 | nM | 7.4 | 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 | 5 |
Data from ChEMBL 36 via Core Engine