Compound Detail
CHEMBL4860123
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Basic Information
| ChEMBL ID | CHEMBL4860123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXAHBMLWTZGSMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.1
MW (Da)
1.64
ALogP
4
HBA
1
HBD
63.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 CHEMBL4630879 | Kd | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 | Kd | = | 40000.0 | nM | 4.4 | Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Esc... | 34597046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34597046 | 10.1021/acs.jmedchem.1c01336 | Hepatitis A virus cellular receptor 2 | 1 |
| 34597046 | 10.1021/acs.jmedchem.1c01336 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine