Compound Detail
CHEMBL99718
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Basic Information
| ChEMBL ID | CHEMBL99718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGCGMLMLJKAOHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
1.91
ALogP
7
HBA
3
HBD
80.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 300.0 | nM | 6.52 | Tested for beta-receptor binding inhibition from canine ventricular tissue, usin... | 1976812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976812 | 10.1021/jm00172a033 | Canis familiaris | 9 |
| 1976812 | 10.1021/jm00172a033 | Adrenergic receptor beta | 1 |
Data from ChEMBL 36 via Core Engine