Compound Detail
CHEMBL427297
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Basic Information
| ChEMBL ID | CHEMBL427297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCOHQEFWHYJLRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.51
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.22 | 7.22 | 60.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 60.26 | nM | 7.22 | In vitro beta-1 adrenergic receptor activity was determined via inhibition of th... | 6134834 |
| Beta-2 adrenergic receptor | Kd | = | 562.34 | nM | 6.25 | In vitro beta-2 adrenergic receptor activity was determined by measuring inhibit... | 6134834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 42797 | 10.1021/jm00197a002 | Rattus norvegicus | 6 |
| 37337 | 10.1021/jm00192a015 | Canis familiaris | 5 |
| 42797 | 10.1021/jm00197a002 | Canis familiaris | 2 |
| 37337 | 10.1021/jm00192a015 | Rattus norvegicus | 2 |
| 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