Compound Detail
CHEMBL4454498
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4454498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXQAJAKTGAQSNG-MXGZSICKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1075.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.33
Ki 1 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 8.45 | 8.45 | 3.5 | 1 |
| Urotensin-2 receptor CHEMBL3764 | EC50 | 8.33 | 8.33 | 4.7 | 1 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 3.548 | nM | 8.45 | Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 re... | 30615452 |
| Urotensin-2 receptor | EC50 | = | 4.677 | nM | 8.33 | Agonist activity at urotensin 2 receptor (unknown origin) expressed in HEK293 ce... | 30615452 |
| Urotensin-2 receptor | EC50 | = | 5.248 | nM | 8.28 | Agonist activity at urotensin 2 receptor in Sprague-Dawley rat thoracic aortic r... | 30615452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30615452 | 10.1021/acs.jmedchem.8b01601 | Urotensin-2 receptor | 5 |
Data from ChEMBL 36 via Core Engine