Compound Detail
CHEMBL5186410
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5186410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSANIQWHWSOLLV-XANBLQFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1716.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.48 | 5.48 | 3310.0 | 1 |
| LLC-MK2 CHEMBL614691 | EC50 | 4.6 | 4.6 | 25070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 3310.0 | nM | 5.48 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 35933786 |
| LLC-MK2 | EC50 | = | 25070.0 | nM | 4.6 | Cytotoxicity against monkey LLC-MK2 cells assessed as reduction in cell viabilit... | 35933786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35933786 | 10.1016/j.ejmech.2022.114624 | LLC-MK2 | 1 |
| 35933786 | 10.1016/j.ejmech.2022.114624 | Trypanosoma cruzi | 1 |
| 35933786 | 10.1016/j.ejmech.2022.114624 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine