Compound Detail
CHEMBL4875904
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Basic Information
| ChEMBL ID | CHEMBL4875904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQCMHKQAMJRWNA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
2.57
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 CHEMBL4630879 | Ki | 6.3 | 6.095 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 | Ki | = | 500.0 | nM | 6.3 | Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22... | 34597046 |
| Hepatitis A virus cellular receptor 2 | Ki | = | 1300.0 | nM | 5.89 | Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-d... | 34597046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34597046 | 10.1021/acs.jmedchem.1c01336 | Hepatitis A virus cellular receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine