Compound Detail
CHEMBL5192321
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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5192321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDRPLNQJNRBRNY-WYYADCIBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1721.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 6.84 | 6.61 | 144.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 144.54 | nM | 6.84 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 416.87 | nM | 6.38 | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t... | 28288109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 4 |
| 28288109 | 10.1038/nchembio.2334 | Unchecked | 2 |
| 34861349 | 10.1016/j.bmcl.2021.128485 | Mas-related G-protein coupled receptor member X2 | 1 |
| 34861349 | 10.1016/j.bmcl.2021.128485 | Mas-related G-protein coupled receptor member B2 | 1 |
Data from ChEMBL 36 via Core Engine