Compound Detail
CHEMBL427778
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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](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL427778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXCMGJMNTZLMFD-MKVQGMSTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1576.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL3949 | Ki | 10.11 | 10.11 | 0.1 | 1 |
| Endothelin-1 receptor CHEMBL4130 | Ki | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | Ki | = | 0.077 | nM | 10.11 | Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine ... | - |
| Endothelin-1 receptor | Ki | = | 620.0 | nM | 6.21 | Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine l... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00421-0 | Endothelin receptor type B | 1 |
| - | 10.1016/0960-894X(96)00421-0 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine