Compound Detail
CHEMBL2370694
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370694 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KEICKFACMXRXAO-QTDVOZQNSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1323.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.98
EC50 1 meas. best 5.23
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | Kd | 6.98 | 6.98 | 104.7 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | Kd | 5.92 | 5.92 | 1202.3 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.23 | 5.23 | 5920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Kd | = | 104.71 | nM | 6.98 | Antagonist activity against mouse melanocortin-4 receptor (MC4R) using Schild an... | 11708914 |
| Melanocyte-stimulating hormone receptor | Kd | = | 1202.26 | nM | 5.92 | Antagonist activity at mouse MC1R expressed in HEK293 cells coexpressing CRE/bet... | 37307241 |
| Melanocyte-stimulating hormone receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to mouse MC1R expressed in HEK293 cells coexpressing CRE/beta-g... | 37307241 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5920.0 | nM | 5.23 | Agonist activity against mouse melanocortin-1 receptor | 11708914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37307241 | 10.1021/acs.jmedchem.3c00432 | Melanocyte-stimulating hormone receptor | 2 |
| 11708914 | 10.1021/jm010215z | Melanocyte-stimulating hormone receptor | 1 |
| 11708914 | 10.1021/jm010215z | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine