Compound Detail
CHEMBL422477
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Basic Information
| ChEMBL ID | CHEMBL422477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVWFVGKPGDSCOS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.80
ALogP
4
HBA
1
HBD
33.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 9.6 | 9.6 | 0.3 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 0.2512 | nM | 9.6 | Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 ... | 11814822 |
| Alpha-1D adrenergic receptor | EC50 | = | 12.59 | nM | 7.9 | Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1... | 11814822 |
| Alpha-1B adrenergic receptor | EC50 | = | 15.85 | nM | 7.8 | Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1... | 11814822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1A adrenergic receptor | 2 |
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1B adrenergic receptor | 2 |
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine