Compound Detail
CHEMBL2441617
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Basic Information
| ChEMBL ID | CHEMBL2441617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKHMQNCHQZAPKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
4.80
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 4.17 | 4.17 | 67100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 67100.0 | nM | 4.17 | Binding affinity to N-terminal FLAG-tagged C-terminal His-10-tagged human beta2 ... | 24454993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24454993 | 10.1021/ml400312j | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine