Compound Detail
CHEMBL388060
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CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[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)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL388060 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IWPZSQYTMKMNRX-YPUYICQWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1089.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.2
Ki 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 1.259 | nM | 8.9 | Displacement of [125I]urotensin 2 from human UT receptor expressed in CHO-K1 cel... | 16279788 |
| Rattus norvegicus | EC50 | = | 63.1 | nM | 7.2 | Maximum contractile response of thoracic aorta in albino Wistar rat after 30 min | 16279788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279788 | 10.1021/jm058043j | Rattus norvegicus | 2 |
| 16279788 | 10.1021/jm058043j | Urotensin-2 receptor | 1 |
Data from ChEMBL 36 via Core Engine