Compound Detail
CHEMBL4213101
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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 | CHEMBL4213101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWPABDJNWSXGPM-HZWOCANUSA-N |
2
Targets
5
Activities
2
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 4 meas. best 7.56
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
| Urotensin-2 receptor CHEMBL3764 | EC50 | 7.56 | 6.8367 | 27.5 | 3 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 7.49 | 7.49 | 32.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | IC50 | = | 26.92 | nM | 7.57 | Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK29... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 27.54 | nM | 7.56 | Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 32.36 | nM | 7.49 | Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring asses... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 147.91 | nM | 6.83 | Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G1... | 30183282 |
| Urotensin-2 receptor | EC50 | = | 758.58 | nM | 6.12 | 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