Compound Detail
CHEMBL3343989
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CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL3343989 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GOEYECACIBFJGZ-NPAGUKBMSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1971.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 7.3 | 7.3 | 50.0 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341576 | EC50 | 6.6 | 6.56 | 251.2 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | EC50 | 6.52 | 6.51 | 300.0 | 2 |
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.05 | 5.0 | 8912.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31498617 | 10.1021/acs.jmedchem.9b01003 | Mas-related G-protein coupled receptor member X1 | 4 |
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 4 |
| 25288495 | 10.1016/j.bmc.2014.09.025 | Mas-related G-protein coupled receptor member X1 | 3 |
Data from ChEMBL 36 via Core Engine