Compound Detail
CHEMBL5665416
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5665416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNUWKYBPCFUDDK-DYQOJKGJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1619.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 6.86 | 6.18 | 138.0 | 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 | = | 138.04 | nM | 6.86 | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t... | 28288109 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 3162.28 | nM | 5.5 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 2 |
Data from ChEMBL 36 via Core Engine