Compound Detail
CHEMBL117581
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Basic Information
| ChEMBL ID | CHEMBL117581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHCVLCQQNTYWFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.09
ALogP
4
HBA
2
HBD
39.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 12.59 | nM | 7.9 | Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts | 12419381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1A adrenergic receptor | 2 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1B adrenergic receptor | 1 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine