Compound Detail
CHEMBL98016
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Basic Information
| ChEMBL ID | CHEMBL98016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTVXUJSEZMDLLE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.24
ALogP
4
HBA
3
HBD
65.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 50.12 | nM | 7.3 | Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fi... | 11597419 |
| Alpha-1B adrenergic receptor | EC50 | = | 125.89 | nM | 6.9 | Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblast... | 11597419 |
| Alpha-1D adrenergic receptor | EC50 | = | 316.23 | nM | 6.5 | Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblast... | 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 | 2 |
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine