Compound Detail
CHEMBL21961
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Basic Information
| ChEMBL ID | CHEMBL21961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIPVFDIXAOJKFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
1.78
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 86.0 | nM | 7.07 | Alpha-1 adrenergic receptor activation causing vasoconstriction in the isolated ... | 6120238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6125597 | 10.1021/jm00349a019 | Rattus norvegicus | 2 |
| 6125597 | 10.1021/jm00349a019 | NON-PROTEIN TARGET | 1 |
| 6120238 | 10.1021/jm00344a009 | Unchecked | 1 |
| 6120238 | 10.1021/jm00344a009 | Adrenergic receptor alpha-1 | 1 |
| 1246056 | 10.1021/jm00223a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine