Compound Detail
CHEMBL553147
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Basic Information
| ChEMBL ID | CHEMBL553147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQOZYLYSUAAHAW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194721 |
| Active Moiety | CHEMBL1194721 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
2.73
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.35 | 7.35 | 45.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 45.0 | nM | 7.35 | Adenylase cyclase activity in rat striatal membranes | 7069713 |
| Rattus norvegicus | EC50 | = | 45.0 | nM | 7.35 | 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 |
| 7069713 | 10.1021/jm00346a005 | Canis familiaris | 4 |
| 7069713 | 10.1021/jm00346a005 | Unchecked | 3 |
| 7069713 | 10.1021/jm00346a005 | Rattus norvegicus | 2 |
| 2878077 | 10.1021/jm00161a029 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine