Compound Detail
CHEMBL3237627
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Basic Information
| ChEMBL ID | CHEMBL3237627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMWCZDDKZOUUNI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
1.86
ALogP
3
HBA
2
HBD
57.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 3.4
IC50 1 meas. best 2.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CD44 antigen CHEMBL3232692 | Kd | 3.4 | 3.4 | 400000.0 | 1 |
| CD44 antigen CHEMBL3232693 | Kd | 3.3 | 3.3 | 500000.0 | 1 |
| CD44 antigen CHEMBL3232692 | IC50 | 2.46 | 2.46 | 3500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CD44 antigen | Kd | = | 400000.0 | nM | 3.4 | Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain... | 24606063 |
| CD44 antigen | Kd | = | 500000.0 | nM | 3.3 | Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain... | 24606063 |
| CD44 antigen | IC50 | = | 3500000.0 | nM | 2.46 | Inhibition of recombinant human hyaluronan binding domain of CD44 binding to imm... | 24606063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24606063 | 10.1021/jm5000276 | CD44 antigen | 3 |
Data from ChEMBL 36 via Core Engine