Compound Detail
CHEMBL2011221
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Basic Information
| ChEMBL ID | CHEMBL2011221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVTXIYQWWARLLH-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
1.55
ALogP
6
HBA
5
HBD
143.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | IC50 | = | 2.0 | nM | 8.7 | Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based a... | 24900360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900360 | 10.1021/ml1002458 | Beta-1 adrenergic receptor | 1 |
| 24900360 | 10.1021/ml1002458 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine