Compound Detail
CHEMBL438733
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]2CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL438733 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MZVCZLOYKOOJAY-NBENRSCBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2491.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL4401 | IC50 | 10.03 | 10.03 | 0.1 | 1 |
| Endothelin-1 receptor CHEMBL4130 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 0.093 | nM | 10.03 | Tested for the competitive binding versus [125I]- ET-1 determined in bovine cere... | 8258832 |
| Endothelin-1 receptor | IC50 | = | 5.9 | nM | 8.23 | Tested for the competitive binding versus [125I]- ET-1 determined in porcine car... | 8258832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258832 | 10.1021/jm00077a013 | Endothelin-1 receptor | 2 |
| 8258832 | 10.1021/jm00077a013 | Endothelin receptor type B | 1 |
| 8258832 | 10.1021/jm00077a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine