Compound Detail
CHEMBL268768
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Basic Information
| ChEMBL ID | CHEMBL268768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKWCRLCFRBNCER-CMDGGOBGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.59
ALogP
7
HBA
1
HBD
93.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.38
IC50 1 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 9.38 | 9.38 | 0.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 9.14 | 9.14 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 0.412 | nM | 9.38 | Compound is evaluated for receptor binding affinity using 100 nM concentration o... | 2535878 |
| Adrenergic receptor alpha-1 | IC50 | = | 0.6918 | nM | 9.16 | Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat... | 2535878 |
| Rattus norvegicus | Kd | = | 0.7244 | nM | 9.14 | Compound was tested for alpha-adrenoceptor blocking activity by its ability to a... | 6131135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131135 | 10.1021/jm00357a016 | Rattus norvegicus | 26 |
| 2535878 | 10.1021/jm00121a020 | Adrenergic receptor alpha-1 | 3 |
| 6131135 | 10.1021/jm00357a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine