Compound Detail
CHEMBL174106
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Basic Information
| ChEMBL ID | CHEMBL174106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUFUTNJTGYHQHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.97
ALogP
6
HBA
3
HBD
88.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 23.99 | nM | 7.62 | In vitro beta-1 adrenergic receptor activity was determined via inhibition of th... | 6134834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134834 | 10.1021/jm00361a004 | Beta-1 adrenergic receptor | 1 |
| 6134834 | 10.1021/jm00361a004 | Beta-2 adrenergic receptor | 1 |
| 6134834 | 10.1021/jm00361a004 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
Data from ChEMBL 36 via Core Engine