Compound Detail
CHEMBL5170789
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Cc1cccc(OCC(=O)Nc2ccc(Cc3ccc(NC(=O)COc4cccc(C)c4)c(C(=O)O)c3)cc2C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5170789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWQKSCOFSVUGTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
5.33
ALogP
6
HBA
4
HBD
151.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-1 CHEMBL6027 | Kd | 4.46 | 4.46 | 34500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-1 | Kd | = | 34500.0 | nM | 4.46 | Binding affinity to recombinant human Dvl1 PDZ domain assessed as chemical shift... | 33783220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33783220 | 10.1021/acs.jmedchem.0c01974 | Segment polarity protein dishevelled homolog DVL-1 | 1 |
Data from ChEMBL 36 via Core Engine