Compound Detail
CHEMBL1159887
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Basic Information
| ChEMBL ID | CHEMBL1159887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOGFUYPGDLRKHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
1.81
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 1260.0 | nM | 5.9 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2870189 | 10.1021/jm00154a020 | Beta-2 adrenergic receptor | 4 |
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
| 2870189 | 10.1021/jm00154a020 | ADMET | 1 |
| 2870189 | 10.1021/jm00154a020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine