Compound Detail
CHEMBL4638745
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CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3cccnc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4638745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEBDDQPQTVCGOE-XTBCULCOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1055.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.68
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 8.68 | 8.375 | 2.1 | 2 |
| Urotensin-2 receptor CHEMBL3764 | IC50 | 6.99 | 6.99 | 102.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thoracic aorta | EC50 | = | 2.089 | nM | 8.68 | Contractile activity in Sprague-Dawley rat thoracic aorta assessed as contractio... | 32944139 |
| Thoracic aorta | EC50 | = | 8.511 | nM | 8.07 | Contractile activity in Sprague-Dawley rat thoracic aorta assessed as contractio... | 32944139 |
| Urotensin-2 receptor | IC50 | = | 102.33 | nM | 6.99 | Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125... | 32944139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944139 | 10.1021/acsmedchemlett.0c00223 | Thoracic aorta | 6 |
| 32944139 | 10.1021/acsmedchemlett.0c00223 | Urotensin-2 receptor | 1 |
Data from ChEMBL 36 via Core Engine