Compound Detail
CHEMBL508811
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CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc([N+](=O)[O-])cc2)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)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL508811 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HIENMXAWDRUYEL-KDXYNCTASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1166.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.14
Ki 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 7.87 | 7.87 | 13.5 | 1 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 7.14 | 7.14 | 72.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 13.49 | nM | 7.87 | Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 ce... | 19432421 |
| Urotensin-2 receptor | EC50 | = | 72.44 | nM | 7.14 | Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of ao... | 19432421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19432421 | 10.1021/jm900148c | Urotensin-2 receptor | 2 |
Data from ChEMBL 36 via Core Engine