Compound Detail
CHEMBL5094168
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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](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)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)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5094168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDHCRROJIVFVLM-BCHBBXIYSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1995.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.08
Ki 3 meas. best 9.83
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 10.08 | 10.08 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 9.83 | 9.83 | 0.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.56 | 7.95 | 2.8 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 8.45 | 8.45 | 3.5 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.19 | 7.19 | 64.6 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.98 | 6.98 | 104.7 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.42 | 6.42 | 380.2 | 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