Compound Detail
CHEMBL358685
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Basic Information
| ChEMBL ID | CHEMBL358685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHQBBQYXJYNTCW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.46
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 6.17 | 6.17 | 676.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 6.14 | 6.14 | 724.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | EC50 | = | 676.08 | nM | 6.17 | In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts vi... | 11844675 |
| Alpha-1A adrenergic receptor | EC50 | = | 724.44 | nM | 6.14 | In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts vi... | 11844675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1A adrenergic receptor | 1 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1B adrenergic receptor | 1 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine