Compound Detail
CHEMBL6913
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Basic Information
| ChEMBL ID | CHEMBL6913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYPNBBZHLGJXPR-ZYHUDNBSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.44
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 6.12 | 6.12 | 760.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 32.0 | nM | 7.5 | Binding affinity to beta2 adrenoceptor (unknown origin) | 33213146 |
| Beta-2 adrenergic receptor | Ki | = | 62.0 | nM | 7.21 | Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adren... | 1313109 |
| Beta-1 adrenergic receptor | Ki | = | 760.0 | nM | 6.12 | Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adren... | 1313109 |
| Adrenergic receptor alpha-2 | Ki | = | 5800.0 | nM | 5.24 | Binding affinity towards alpha-2 adrenergic receptor of rat brain | 1313109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3009812 | 10.1021/jm00155a025 | Adrenergic receptor beta | 4 |
| 1313109 | 10.1021/jm00084a006 | Beta-1 adrenergic receptor | 4 |
| 1313109 | 10.1021/jm00084a006 | Beta-2 adrenergic receptor | 4 |
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-2 | 3 |
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-1 | 2 |
| 1313109 | 10.1021/jm00084a006 | Unchecked | 1 |
| 33213146 | 10.1021/acs.jmedchem.0c01195 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine