Compound Detail
CHEMBL2448525
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2448525 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CELKUTCQMPOERU-QIMXYVSTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2326.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.19 | 7.19 | 64.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 5.21 | 5.21 | 6240.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 4.2 | 4.2 | 63300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 64.0 | nM | 7.19 | Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase a... | 15615519 |
| Melanocortin receptor 4 | EC50 | = | 6240.0 | nM | 5.21 | Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase a... | 15615519 |
| Melanocortin receptor 5 | EC50 | = | 11400.0 | nM | 4.94 | Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase a... | 15615519 |
| Melanocortin receptor 3 | EC50 | = | 63300.0 | nM | 4.2 | Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase a... | 15615519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615519 | 10.1021/jm0492756 | Unchecked | 3 |
| 15615519 | 10.1021/jm0492756 | Melanocyte-stimulating hormone receptor | 1 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 3 | 1 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 4 | 1 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine