Compound Detail
CHEMBL426020
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CC(C)[C@H](NC(=O)[C@@H]1CSSC[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 | CHEMBL426020 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WQSCKYAATADRBI-NCQVFETRSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1061.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.6
EC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 9.6 | 9.6 | 0.3 | 4 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 0.2512 | nM | 9.6 | Binding affinity towards human Urotensin 2 receptor was determined | 15027856 |
| Urotensin-2 receptor | Ki | = | 0.2512 | nM | 9.6 | Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin... | 12238917 |
| Urotensin-2 receptor | Ki | = | 0.2512 | nM | 9.6 | Displacement of [125I]urotensin 2 from human UT receptor expressed in CHO-K1 cel... | 16279788 |
| Urotensin-2 receptor | Ki | = | 0.2512 | nM | 9.6 | Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 ce... | 19432421 |
| Rattus norvegicus | EC50 | = | 2.512 | nM | 8.6 | Maximum contractile response of thoracic aorta in albino Wistar rat after 30 min | 16279788 |
| Urotensin-2 receptor | EC50 | = | 2.512 | nM | 8.6 | Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of ao... | 19432421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238917 | 10.1021/jm025549i | Urotensin-2 receptor | 2 |
| 16279788 | 10.1021/jm058043j | Rattus norvegicus | 2 |
| 19432421 | 10.1021/jm900148c | Urotensin-2 receptor | 2 |
| 15027856 | 10.1021/jm0309912 | Urotensin-2 receptor | 1 |
| 15027856 | 10.1021/jm0309912 | Unchecked | 1 |
| 16279788 | 10.1021/jm058043j | Urotensin-2 receptor | 1 |
Data from ChEMBL 36 via Core Engine