Compound Detail
CHEMBL2052004
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Basic Information
| ChEMBL ID | CHEMBL2052004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCZOJHDSELRWFA-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.81
ALogP
7
HBA
3
HBD
97.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.77 | 7.77 | 17.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 4.42 | 4.42 | 38018.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 16.98 | nM | 7.77 | In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhi... | 2872332 |
| Beta-2 adrenergic receptor | Kd | = | 38018.94 | nM | 4.42 | In vitro inhibitory activity against beta-2 adrenergic receptor was measured by ... | 2872332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2872332 | 10.1021/jm00156a028 | Beta-1 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Beta-2 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
Data from ChEMBL 36 via Core Engine