Compound Detail
CHEMBL1255949
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CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL1255949 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FRUSITGRABAQQC-UEDJBKKJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
2155.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3559678 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 11700.0 | nM | 4.93 | Inhibition of dengue virus NS2B-NS3 protease | 25305334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36137364 | 10.1016/j.ejmech.2022.114769 | Salmonella typhimurium | 8 |
| 18160518 | 10.1128/aac.01090-07 | Staphylococcus aureus | 7 |
| 18160518 | 10.1128/aac.01090-07 | Escherichia coli | 6 |
| 18160518 | 10.1128/aac.01090-07 | Candida albicans | 4 |
| 18160518 | 10.1128/aac.01090-07 | Hs68 | 3 |
| 18160518 | 10.1128/aac.01090-07 | ADMET | 3 |
| 18160518 | 10.1128/aac.01090-07 | Unchecked | 2 |
| 18160518 | 10.1128/aac.01090-07 | Beta-galactosidase | 1 |
| 25305334 | 10.1016/j.ejmech.2014.10.010 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine