Compound Detail
CHEMBL36060
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Basic Information
| ChEMBL ID | CHEMBL36060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMQUQWCJKFOUGV-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
1.40
ALogP
5
HBA
4
HBD
90.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 0.1 | nM | 10.0 | Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors | 11311069 |
| Beta-1 adrenergic receptor | Ki | = | 0.25 | nM | 9.6 | Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors | 11311069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311069 | 10.1021/jm000544b | Beta-1 adrenergic receptor | 1 |
| 11311069 | 10.1021/jm000544b | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine