Compound Detail
CHEMBL349845
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Basic Information
| ChEMBL ID | CHEMBL349845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJSJWMNGCFMVJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
0.91
ALogP
4
HBA
4
HBD
95.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 470.0 | nM | 6.33 | 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 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 3 |
| 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