Compound Detail
CHEMBL1159723
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Basic Information
| ChEMBL ID | CHEMBL1159723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVHCMYZFGCOCTD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
2.38
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.6 | 8.5 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 0.63 | nM | 9.2 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
| Unchecked | Kd | = | 2.5 | nM | 8.6 | Displacement of (-)-[3H]dihydroalprenolol from beta adrenergic receptor in frog ... | 197238 |
| Unchecked | Kd | = | 4.0 | nM | 8.4 | Antagonist activity at beta adrenergic receptor in frog erythrocyte membrane ass... | 197238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 2 |
| 197238 | 10.1021/jm00218a020 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine