Compound Detail
CHEMBL1800936
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Basic Information
| ChEMBL ID | CHEMBL1800936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFRXJKMLZFERKO-KDOFPFPSSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.45
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.41
EC50 2 meas. best 8.55
IC50 1 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.41 | 6.9067 | 39.1 | 3 |
| Beta-2 adrenergic receptor CHEMBL3754 | EC50 | 5.07 | 5.07 | 8551.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 1.44 | nM | 8.84 | Mitogenesis inhibition method: To measure beta2-AR mediated inhibition of mitoge... | - |
| Beta-2 adrenergic receptor | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells a... | 20036561 |
| Beta-2 adrenergic receptor | Ki | = | 39.08 | nM | 7.41 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 39.1 | nM | 7.41 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 1270.0 | nM | 5.9 | Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in ... | 20036561 |
| Beta-2 adrenergic receptor | EC50 | = | 8551.0 | nM | 5.07 | Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed ... | 20036561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20036561 | 10.1016/j.bmc.2009.11.062 | Beta-2 adrenergic receptor | 6 |
| 24326276 | 10.1016/j.bmc.2013.11.030 | 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