Compound Detail
CHEMBL1800962
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Basic Information
| ChEMBL ID | CHEMBL1800962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGUXLVJQUKRZBO-QKKBWIMNSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.51
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.29
EC50 1 meas. best 8.12
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.12 | 8.12 | 7.6 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.14 | 7.14 | 72.6 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.29 | 6.29 | 510.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.57 | 4.57 | 27100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 7.6 | nM | 8.12 | Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells a... | 20036561 |
| Beta-2 adrenergic receptor | IC50 | = | 72.6 | nM | 7.14 | Mitogenesis inhibition method: To measure beta2-AR mediated inhibition of mitoge... | - |
| Beta-2 adrenergic receptor | Ki | = | 510.0 | nM | 6.29 | Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in ... | 20036561 |
| Beta-1 adrenergic receptor | Ki | = | 27100.0 | nM | 4.57 | Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley r... | 20036561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20036561 | 10.1016/j.bmc.2009.11.062 | Beta-2 adrenergic receptor | 3 |
| 20036561 | 10.1016/j.bmc.2009.11.062 | Beta-1 adrenergic receptor | 1 |
| 20036561 | 10.1016/j.bmc.2009.11.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine