Compound Detail
CHEMBL3237625
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Basic Information
| ChEMBL ID | CHEMBL3237625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOFKXNBVTNUDSH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
156.6
MW (Da)
1.81
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 2.27
IC50 1 meas. best 2.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CD44 antigen CHEMBL3232692 | Kd | 2.27 | 2.27 | 5400000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 2.03 | 2.03 | 9300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CD44 antigen | Kd | = | 5400000.0 | nM | 2.27 | Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain... | 24606063 |
| Unchecked | IC50 | = | 9300000.0 | nM | 2.03 | Inhibition of Dengue virus 3 NS5 2'-O-MTase activity assessed as reduction in [3... | 27750202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24606063 | 10.1021/jm5000276 | CD44 antigen | 3 |
| 27750202 | 10.1016/j.ejmech.2016.10.007 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine