Compound Detail
CHEMBL473816
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Basic Information
| ChEMBL ID | CHEMBL473816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBFDNTZQRMCCCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.48
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 3.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Kd | 3.6 | 3.6 | 250000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Kd | = | 250000.0 | nM | 3.6 | Binding affinity to SARS-CoV2 PLpro (71 to 314 residues) expressed in Escherichi... | 39140055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39140055 | 10.1021/acsmedchemlett.4c00238 | Replicase polyprotein 1ab | 2 |
| 19296651 | 10.1021/jm801343r | Plasmodium berghei | 1 |
| 19296651 | 10.1021/jm801343r | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 19296651 | 10.1021/jm801343r | Plasmodium falciparum | 1 |
| 19296651 | 10.1021/jm801343r | Dihydroorotate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine