Compound Detail
CHEMBL571411
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Basic Information
| ChEMBL ID | CHEMBL571411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIZREAONFMGNP-DCIPZJNNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
5.32
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.97 | 6.97 | 107.0 | 1 |
| Beta-lactoglobulin CHEMBL1075053 | Kd | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 107.0 | nM | 6.97 | Binding affinity to reindeer beta-lactoglobulin by fluorescence spectroscopy | 19938842 |
| Beta-lactoglobulin | Kd | = | 153.0 | nM | 6.82 | Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy | 19938842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19938842 | 10.1021/jm901309r | Beta-lactoglobulin | 3 |
| 19938842 | 10.1021/jm901309r | No relevant target | 3 |
| 19938842 | 10.1021/jm901309r | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine