Compound Detail
CHEMBL4060381
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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4060381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQZHKEFEFWSLOK-PHNIDTBTSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1119.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.58
Ki 3 meas. best 8.51
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 9.58 | 9.58 | 0.3 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 9.16 | 9.16 | 0.7 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.78 | 8.78 | 1.7 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 7.81 | 7.81 | 15.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.72 | 5.72 | 1905.5 | 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 | 3 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocyte-stimulating hormone receptor | 2 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 3 | 2 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine