Compound Detail
CHEMBL1165797
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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](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[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@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1165797 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CAFCHMQAPSIABR-AZHSJFBFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1395.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.47
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL4921 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| Urotensin-2 receptor CHEMBL4921 | EC50 | 9.47 | 9.47 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 0.02 | nM | 10.7 | Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells | 20043680 |
| Urotensin-2 receptor | EC50 | = | 0.34 | nM | 9.47 | Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as ... | 20043680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20043680 | 10.1021/jm901294u | Urotensin-2 receptor | 2 |
Data from ChEMBL 36 via Core Engine