Compound Detail
CHEMBL462313
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Basic Information
| ChEMBL ID | CHEMBL462313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSTCZWJCLIRCOJ-DGCLKSJQSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
1.13
ALogP
4
HBA
3
HBD
70.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
IC50 1 meas. best 6.21
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... | 19245211 |
| Beta-2 adrenergic receptor | IC50 | = | 620.0 | nM | 6.21 | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... | 19245211 |
| Beta-2 adrenergic receptor | EC50 | = | 6900.0 | nM | 5.16 | Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as ... | 19245211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19245211 | 10.1021/jm801211c | Beta-2 adrenergic receptor | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine