Compound Detail
CHEMBL1203103
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Basic Information
| ChEMBL ID | CHEMBL1203103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJPQHSSMBZLGX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL113312 |
| Active Moiety | CHEMBL113312 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
540.8
MW (Da)
6.42
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | Kd | 4.53 | 4.53 | 29512.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Kd | = | 29512.09 | nM | 4.53 | In vitro blocking activity against beta adrenergic receptor, isolated from guine... | 6115059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6115059 | 10.1021/jm00135a017 | Rattus norvegicus | 2 |
| 6115059 | 10.1021/jm00135a017 | Adrenergic receptor alpha-1 | 1 |
| 6115059 | 10.1021/jm00135a017 | Adrenergic receptor beta | 1 |
| 6115059 | 10.1021/jm00135a017 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine