Compound Detail
CHEMBL4104465
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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)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4104465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJOQDGYJJVWVGL-IVDSFYENSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1715.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.26
Ki 3 meas. best 6.55
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 7.26 | 7.26 | 55.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.83 | 6.22 | 147.9 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 6.55 | 6.55 | 281.8 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 5.83 | 5.83 | 1479.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.32 | 5.32 | 4786.3 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.07 | 5.07 | 8511.4 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 4.75 | 4.75 | 17782.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 4 | 6 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocyte-stimulating hormone receptor | 4 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 3 | 4 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 5 | 2 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine