Compound Detail
CHEMBL100383
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Basic Information
| ChEMBL ID | CHEMBL100383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZRSWNQYOEPCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
2.45
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 19.95 | nM | 7.7 | Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fi... | 11597419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1A adrenergic receptor | 2 |
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1B adrenergic receptor | 1 |
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine