Compound Detail
CHEMBL276257
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Basic Information
| ChEMBL ID | CHEMBL276257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNTDIRUBXSTBGJ-NRFANRHFSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
568.4
MW (Da)
3.37
ALogP
6
HBA
4
HBD
107.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
EC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.8 | 8.8 | 1.6 | 2 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.77 | 6.77 | 170.0 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 1.6 | nM | 8.8 | Evaluated for its agonist activity against human Beta-3 adrenergic receptor | 9873496 |
| Beta-3 adrenergic receptor | EC50 | = | 1.6 | nM | 8.8 | Agonist activity against cloned human beta-3 adrenergic receptor | 9871716 |
| Beta-2 adrenergic receptor | IC50 | = | 120.0 | nM | 6.92 | Evaluated for its agonist activity and the binding affinity against human Beta-2... | 9873496 |
| Beta-2 adrenergic receptor | IC50 | = | 120.0 | nM | 6.92 | Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells ... | 9871716 |
| Beta-1 adrenergic receptor | IC50 | = | 170.0 | nM | 6.77 | Evaluated for its agonist activity and the binding affinity against human Beta-1... | 9873496 |
| Beta-1 adrenergic receptor | IC50 | = | 170.0 | nM | 6.77 | Tested for binding affinity against cloned human beta-1 adrenergic receptor from... | 9871716 |
| Beta-1 adrenergic receptor | EC50 | = | 320.0 | nM | 6.5 | Compound was tested for agonist activity against cloned human beta-1 adrenergic ... | 9871716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-3 adrenergic receptor | 2 |
| 9871716 | 10.1016/s0960-894x(98)00169-3 | Beta-3 adrenergic receptor | 2 |
| 9871716 | 10.1016/s0960-894x(98)00169-3 | Beta-1 adrenergic receptor | 2 |
| 9871716 | 10.1016/s0960-894x(98)00169-3 | Beta-2 adrenergic receptor | 2 |
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-1 adrenergic receptor | 1 |
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-2 adrenergic receptor | 1 |
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine