Compound Detail
CHEMBL4748576
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COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1
Basic Information
| ChEMBL ID | CHEMBL4748576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSOUTZBZMGJCQ-VPSJLMRDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.4
MW (Da)
1.26
ALogP
11
HBA
5
HBD
198.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of human CD73 expressed in CHO cells using AMP as substrate preincuba... | 32614585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32614585 | 10.1021/acs.jmedchem.0c00525 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine