Compound Detail
CHEMBL4846717
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4846717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTWSEJRQUJZGAI-HDTSUBPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
4130.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | EC50 | 5.05 | 5.05 | 8860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | EC50 | = | 8860.0 | nM | 5.05 | Antileishmanial activity against Leishmania amazonensis (MHOM/BR/73/M2269) proma... | 34077221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Lipid bilayer | 4 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Cell membrane | 3 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Staphylococcus aureus | 2 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Escherichia coli | 2 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Pseudomonas aeruginosa | 2 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Leishmania amazonensis | 2 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | Enterococcus faecalis | 1 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | J774 | 1 |
| 34077221 | 10.1021/acs.jnatprod.1c00153 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine