Compound Detail
CHEMBL1237057
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CCC(C)[C@H](N)C1=NCC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCCN)NC2=O)C(C)CC)S1
Basic Information
| ChEMBL ID | CHEMBL1237057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNJKVJAYSVAQLU-YOJCIBLDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1422.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.7 | 19750.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.37 | 4.37 | 42240.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.33 | 4.33 | 47090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19750.0 | nM | 4.7 | DNDI: Malaria in Vitro, 72 hour | - |
| NON-PROTEIN TARGET | IC50 | = | 42240.0 | nM | 4.37 | DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells | - |
| Trypanosoma cruzi | IC50 | = | 47090.0 | nM | 4.33 | DNDI: Chagas in Vitro, 96 hour | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3392926 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine