Compound Detail
CHEMBL4851392
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CC[C@H](C)[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)CC[C@H](C)CCCCNC(=O)CCCc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL4851392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWWLSINNCFAKOQ-OABFXBSUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1075.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 960.0 | nM | 6.02 | Antiplasmodial activity against asexual Plasmodium falciparum 3D7 infected in hu... | 33369420 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2900.0 | nM | 5.54 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense IL-1501 assesse... | 33369420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33369420 | 10.1021/acs.jnatprod.0c01209 | Plasmodium falciparum | 1 |
| 33369420 | 10.1021/acs.jnatprod.0c01209 | Trypanosoma brucei rhodesiense | 1 |
| 33369420 | 10.1021/acs.jnatprod.0c01209 | HL-60 | 1 |
| 33369420 | 10.1021/acs.jnatprod.0c01209 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine