Compound Detail
CHEMBL536552
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Basic Information
| ChEMBL ID | CHEMBL536552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIBHYFQQMNHJOJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188509 |
| Active Moiety | CHEMBL1188509 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.68
ALogP
7
HBA
2
HBD
77.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 6.32 | 6.32 | 478.6 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 4.27 | 4.27 | 53703.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 478.63 | nM | 6.32 | In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhi... | 2872332 |
| Beta-2 adrenergic receptor | Kd | = | 53703.18 | nM | 4.27 | In vitro inhibitory activity against beta-2 adrenergic receptor was measured by ... | 2872332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2872332 | 10.1021/jm00156a028 | No relevant target | 2 |
| 2872332 | 10.1021/jm00156a028 | Beta-1 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Beta-2 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Rattus norvegicus | 1 |
| 2872332 | 10.1021/jm00156a028 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
Data from ChEMBL 36 via Core Engine