Compound Detail
CHEMBL275303
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CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL275303 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YVMNAKQQXPYPRY-UYEZAFAQSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
707.8
MW (Da)
0.92
ALogP
6
HBA
7
HBD
230.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.53 | 5.64 | 297.0 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 297.0 | nM | 6.53 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 11300.0 | nM | 4.95 | In vitro activation of mouse recombinant Melanocortin-1 receptor. | 12061882 |
| Melanocortin receptor 4 | EC50 | = | 11700.0 | nM | 4.93 | In vitro activation of mouse recombinant Melanocortin-4 receptor. | 12061882 |
| Melanocortin receptor 5 | EC50 | = | 12000.0 | nM | 4.92 | In vitro activation of mouse recombinant Melanocortin-5 receptor. | 12061882 |
| Melanocortin receptor 4 | EC50 | = | 17920.0 | nM | 4.75 | Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... | 24517312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24517312 | 10.1021/jm500064t | Melanocortin receptor 4 | 2 |
| 12061882 | 10.1021/jm0104872 | Melanocyte-stimulating hormone receptor | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 3 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 4 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine