Compound Detail
CHEMBL5425035
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CC1=CC(=O)C2(C=C(c3cc4oc(=O)c5cc(O)c(O)cc5c4c(=O)o3)c3cc(O)c(O)cc32)O1
Basic Information
| ChEMBL ID | CHEMBL5425035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJJEMSONJIFMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
2.87
ALogP
10
HBA
4
HBD
167.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 5.17 | 5.17 | 6720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 6720.0 | nM | 5.17 | Inhibition of human recombinant CD73 | 36599229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36599229 | 10.1016/j.ejmech.2022.115052 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine