Compound Detail
CHEMBL4216988
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CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4216988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWPABDJNWSXGPM-CNZATWHVSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1117.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL4921 | EC50 | 8.87 | 8.2967 | 1.3 | 3 |
| Urotensin-2 receptor CHEMBL3764 | EC50 | 6.42 | 6.0367 | 380.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | EC50 | = | 1.349 | nM | 8.87 | Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring asses... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 5.37 | nM | 8.27 | Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 17.78 | nM | 7.75 | Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 380.19 | nM | 6.42 | Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G1... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 616.6 | nM | 6.21 | Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 3311.31 | nM | 5.48 | Agonist activity at human UT receptor expressed in HEK293 cells co-expressing be... | 30183282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30183282 | 10.1021/acs.jmedchem.8b00789 | Urotensin-2 receptor | 22 |
Data from ChEMBL 36 via Core Engine