Compound Detail
CHEMBL4060715
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Basic Information
| ChEMBL ID | CHEMBL4060715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIFJJRRCTKAIGB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.84
ALogP
5
HBA
0
HBD
48.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 360.0 | nM | 6.44 | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 pepti... | 34798775 |
| Trypanosoma brucei | EC50 | = | 3800.0 | nM | 5.42 | Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms after... | 28043795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28043795 | 10.1016/j.bmcl.2016.12.021 | Unchecked | 2 |
| 28043795 | 10.1016/j.bmcl.2016.12.021 | Trypanosoma brucei | 2 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine