Compound Detail
CHEMBL4475573
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Basic Information
| ChEMBL ID | CHEMBL4475573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSQGYGBQIPSEOT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
593.8
MW (Da)
0.24
ALogP
10
HBA
5
HBD
172.5
PSA (Ų)
0.09
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.79
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.79 | 7.79 | 16.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 16.4 | nM | 7.79 | Displacement of [3H](-)CGP 12177 from human recombinant beta2 adrenoceptor after... | 31303996 |
| Beta-2 adrenergic receptor | IC50 | = | 86.0 | nM | 7.07 | Antagonist activity at human recombinant beta2 adrenoreceptor expressed in CHOK1... | 31303996 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1780.0 | nM | 5.75 | Displacement of [3H]-OH-DPAT from human recombinant 5-HT1A receptor measured aft... | 31303996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31303996 | 10.1039/C8MD00412A | Beta-2 adrenergic receptor | 4 |
| 31303996 | 10.1039/C8MD00412A | 5-hydroxytryptamine receptor 1A | 3 |
| 31303996 | 10.1039/C8MD00412A | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine