Compound Detail
CHEMBL4785157
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CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL4785157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRKOVWQTFADIDL-BUXPKPHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
977.1
MW (Da)
-1.27
ALogP
10
HBA
9
HBD
311.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at mouse MC1R by alphascreen cAMP assay | 33062177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 3 | 2 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 4 | 2 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocyte-stimulating hormone receptor | 1 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine