Compound Detail
CHEMBL5076315
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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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5076315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAXKNGODUAVCKD-UXBASLOYSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1949.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.98
Ki 3 meas. best 8.1
IC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.98 | 8.24 | 1.0 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.81 | 8.81 | 1.5 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 7.87 | 7.87 | 13.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.69 | 6.69 | 204.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.39 | 6.39 | 407.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 4 | 3 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocyte-stimulating hormone receptor | 2 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 3 | 2 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine