Compound Detail
CHEMBL3287060
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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3287060 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IMZZWIWCQOUALL-RTNMLALUSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
711.8
MW (Da)
0.61
ALogP
7
HBA
10
HBD
257.4
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.21 | 7.24 | 6.2 | 2 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 6.2 | nM | 8.21 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocortin receptor 4 | EC50 | = | 90.0 | nM | 7.05 | Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells asse... | 32184956 |
| Melanocortin receptor 5 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 32184956 |
| Melanocortin receptor 4 | EC50 | = | 540.0 | nM | 6.27 | Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... | 24517312 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse... | 32184956 |
| Melanocortin receptor 3 | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells asse... | 32184956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24517312 | 10.1021/jm500064t | Melanocortin receptor 4 | 2 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 3 | 2 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 4 | 2 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 5 | 2 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocyte-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine