Compound Detail
CHEMBL4455086
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CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)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)[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4455086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLOSZTDFJMOWKX-JWNUYQQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1402.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 5.67 | 5.67 | 2138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 2137.96 | nM | 5.67 | Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 re... | 30615452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30615452 | 10.1021/acs.jmedchem.8b01601 | Urotensin-2 receptor | 2 |
Data from ChEMBL 36 via Core Engine