Compound Detail
CHEMBL5431861
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 | CHEMBL5431861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHBOMMCWIAPXIS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
4.45
ALogP
8
HBA
1
HBD
104.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 CHEMBL4630879 | Kd | 9.24 | 7.725 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 | Kd | = | 0.58 | nM | 9.24 | Binding affinity to His-tagged recombinant human TIM3 expressed in HEK293 cells ... | 37566998 |
| Hepatitis A virus cellular receptor 2 | Kd | = | 610.0 | nM | 6.21 | Binding affinity to His-tagged recombinant human TIM3 expressed in HEK293 cells ... | 37566998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37566998 | 10.1021/acs.jmedchem.3c00960 | Hepatitis A virus cellular receptor 2 | 5 |
| 37566998 | 10.1021/acs.jmedchem.3c00960 | Unchecked | 1 |
| 37566998 | 10.1021/acs.jmedchem.3c00960 | THP-1 | 1 |
| 37566998 | 10.1021/acs.jmedchem.3c00960 | Kasumi 1 | 1 |
Data from ChEMBL 36 via Core Engine