Compound Detail
CHEMBL3315145
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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](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3315145 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IWWHDXWKVFMHKP-CZRYUMOFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1116.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.47
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 7.47 | 7.47 | 33.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 12.88 | nM | 7.89 | Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed i... | 24992374 |
| Urotensin-2 receptor | EC50 | = | 33.88 | nM | 7.47 | Agonist activity at UT receptor in rat aorta assessed as contraction | 24992374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24992374 | 10.1021/jm500218x | Urotensin-2 receptor | 4 |
Data from ChEMBL 36 via Core Engine