Compound Detail
CHEMBL3237626
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3237626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMDNLKUYUOOVMM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
2.28
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 2.34
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CD44 antigen CHEMBL3232692 | Kd | 2.34 | 2.34 | 4600000.0 | 1 |
| CD44 antigen CHEMBL3232693 | Kd | 2.26 | 2.26 | 5500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CD44 antigen | Kd | = | 4600000.0 | nM | 2.34 | Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain... | 24606063 |
| CD44 antigen | Kd | = | 5500000.0 | nM | 2.26 | Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain... | 24606063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24606063 | 10.1021/jm5000276 | CD44 antigen | 3 |
Data from ChEMBL 36 via Core Engine