Compound Detail
CHEMBL126347
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Basic Information
| ChEMBL ID | CHEMBL126347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCSBHJHUGQEHSD-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
0.63
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.15
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3754 | Ki | 6.15 | 6.15 | 710.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 710.0 | nM | 6.15 | Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalpre... | 8254623 |
| Adrenergic receptor alpha-2 | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral c... | 8254623 |
| Beta-1 adrenergic receptor | Ki | = | 2300.0 | nM | 5.64 | Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cer... | 8254623 |
| Cavia porcellus | EC50 | = | 2600.0 | nM | 5.58 | Effective concentration for stimulation of [3H]phosphoinositide formation in gui... | 8254623 |
| Adrenergic receptor alpha-1 | Ki | = | 39000.0 | nM | 4.41 | Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cor... | 8254623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254623 | 10.1021/jm00076a024 | Adrenergic receptor alpha-1 | 1 |
| 8254623 | 10.1021/jm00076a024 | Adrenergic receptor alpha-2 | 1 |
| 8254623 | 10.1021/jm00076a024 | Beta-1 adrenergic receptor | 1 |
| 8254623 | 10.1021/jm00076a024 | Beta-2 adrenergic receptor | 1 |
| 8254623 | 10.1021/jm00076a024 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine