Compound Detail
CHEMBL4759919
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N#CC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL4759919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEAAZMKJGPTWEZ-BVGIBNHUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.8
MW (Da)
0.50
ALogP
11
HBA
5
HBD
195.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 6.26 | 6.255 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: Assay Reaction ConditionsAssay Volume: 70 μlReaction Volume: ... | - |
| 5'-nucleotidase | IC50 | = | 559.0 | nM | 6.25 | Inhibition of human C-terminal His6-tagged CD73 expressed in CHO cells preincuba... | 32865411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32865411 | 10.1021/acs.jmedchem.0c01086 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine