Compound Detail
CHEMBL5436167
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Basic Information
| ChEMBL ID | CHEMBL5436167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOMBARHCBKNHPI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.07
ALogP
6
HBA
3
HBD
95.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 5.21 | 5.21 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human recombinant Ecto-5'-nucleotidase | 36599229 |
| 5'-nucleotidase | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human recombinant CD73 | 37302340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36599229 | 10.1016/j.ejmech.2022.115052 | 5'-nucleotidase | 1 |
| 37302340 | 10.1016/j.ejmech.2023.115546 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine