Compound Detail
CHEMBL5196407
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5196407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKQXFLRWJYDSTM-QVKFSNMJSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1347.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.79
Ki 3 meas. best 7.31
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.79 | 8.79 | 1.6 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.72 | 6.72 | 190.6 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.42 | 6.42 | 380.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.34 | 6.34 | 457.1 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.08 | 5.08 | 8317.6 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 4.78 | 4.78 | 16595.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Unchecked | 4 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocyte-stimulating hormone receptor | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 3 | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 4 | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine