Compound Detail
CHEMBL155326
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Basic Information
| ChEMBL ID | CHEMBL155326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBLOKLHEMAJIKI-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
1.76
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.18
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 9.18 | 9.18 | 0.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 8.79 | 8.79 | 1.6 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 7.39 | 7.39 | 40.7 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 7.34 | 7.34 | 45.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 0.6607 | nM | 9.18 | In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts vi... | 11844675 |
| Alpha-1B adrenergic receptor | EC50 | = | 1.622 | nM | 8.79 | In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts vi... | 11844675 |
| Alpha-1D adrenergic receptor | EC50 | = | 5.012 | nM | 8.3 | In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts vi... | 11844675 |
| Alpha-1D adrenergic receptor | IC50 | = | 40.74 | nM | 7.39 | In vitro binding affinity against human Alpha-1D adrenergic receptor expressed i... | 11844675 |
| Alpha-1A adrenergic receptor | IC50 | = | 45.71 | nM | 7.34 | In vitro binding affinity against human Alpha-1A adrenergic receptor expressed i... | 11844675 |
| Alpha-1B adrenergic receptor | IC50 | = | 446.68 | nM | 6.35 | In vitro binding affinity against human Alpha-1B adrenergic receptor expressed i... | 11844675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1A adrenergic receptor | 2 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1B adrenergic receptor | 2 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine