Compound Detail
CHEMBL43799
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Basic Information
| ChEMBL ID | CHEMBL43799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLWVXIUJPCHTSK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.25
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.13 | 7.13 | 74.0 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.47 | 5.47 | 3400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 74.0 | nM | 7.13 | Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor... | 10937709 |
| Alpha-1A adrenergic receptor | Ki | = | 74.0 | nM | 7.13 | In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor | 11459670 |
| Alpha-1D adrenergic receptor | Ki | = | 3400.0 | nM | 5.47 | Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor... | 10937709 |
| Alpha-1D adrenergic receptor | Ki | = | 3400.0 | nM | 5.47 | In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor | 11459670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1A adrenergic receptor | 1 |
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1B adrenergic receptor | 1 |
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1D adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1A adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1B adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine