Compound Detail
CHEMBL37989
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Basic Information
| ChEMBL ID | CHEMBL37989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDPRLCKPDFRPJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.74
ALogP
3
HBA
3
HBD
57.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.4 | 8.35 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.0 | nM | 8.4 | In vitro for binding affinity against beta adrenergic receptor in rat cerebellum | 2874227 |
| Unchecked | Ki | = | 5.0 | nM | 8.3 | In vitro for binding affinity against beta adrenergic receptor in rat cortex | 2874227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2874227 | 10.1021/jm00158a035 | Unchecked | 3 |
| 2874227 | 10.1021/jm00158a035 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine