Compound Detail
CHEMBL1595473
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Basic Information
| ChEMBL ID | CHEMBL1595473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZKGCWIXTVRGO-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.94
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4295557 | Kd | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Kd | = | 7600.0 | nM | 5.12 | Binding affinity to MERS-CoV papain-like protease by SPR analysis | 30940566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940566 | 10.1016/j.bmc.2019.03.050 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine