Compound Detail
CHEMBL11219
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Basic Information
| ChEMBL ID | CHEMBL11219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTSPETXJLSXLKS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
1.81
ALogP
5
HBA
5
HBD
111.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.03 | 7.03 | 93.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 93.33 | nM | 7.03 | In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhi... | 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 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
Data from ChEMBL 36 via Core Engine