Compound Detail
CHEMBL4552531
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Basic Information
| ChEMBL ID | CHEMBL4552531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSGQFSVVMZXOLX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.92 | 5.92 | 1210.0 | 1 |
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 350.0 | nM | 6.46 | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 pepti... | 34798775 |
| Unchecked | Ki | = | 1210.0 | nM | 5.92 | Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ... | 27524377 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... | 27524377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Urease subunit alpha/Urease subunit beta | 4 |
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Unchecked | 3 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine