Compound Detail
CHEMBL5081077
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]1CCCNC(=N)N)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 | CHEMBL5081077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNKGTZHAAMHYKK-HBLZZUKZSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1984.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.09
Ki 3 meas. best 8.31
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 9.09 | 9.09 | 0.8 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.98 | 7.145 | 10.5 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.83 | 6.83 | 147.9 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.82 | 5.82 | 1513.6 | 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