Compound Detail
CHEMBL1233766
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Basic Information
| ChEMBL ID | CHEMBL1233766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFIDUCMKNJIJTO-XJKSGUPXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.61
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 9.52 | 7.86 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 0.3 | nM | 9.52 | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR express... | 27239696 |
| Beta-2 adrenergic receptor | Kd | = | 630.0 | nM | 6.2 | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR express... | 27239696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27239696 | 10.1021/acs.jmedchem.6b00358 | Beta-2 adrenergic receptor | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine