Compound Detail
CHEMBL125819
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCN(C(C)=O)C(C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NC2CCC2)Cc2ccc(Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL125819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIOINJDBOJEISJ-TUXUZCGSSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
553.1
MW (Da)
4.84
ALogP
4
HBA
1
HBD
73.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.82
IC50 1 meas. best 8.24
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.82 | 7.82 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 5.8 | nM | 8.24 | Inhibitory activity against [125I]NDP-alpha-MSH binding to the human melanocorti... | 14698163 |
| Melanocortin receptor 4 | Ki | = | 6.0 | nM | 8.22 | Displacement of 125I-NDP-a-MSH from human Melanocortin receptor 4 after 2 hrs by... | 26390077 |
| Melanocortin receptor 4 | EC50 | = | 15.0 | nM | 7.82 | Intracellular level of cAMP in cells expressing the melanocortin 4 receptor | 14698163 |
| Melanocortin receptor 4 | EC50 | = | 15.0 | nM | 7.82 | Effective concentration against cAMP release in CHO cells expressing human melan... | 15357964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocortin receptor 4 | 3 |
| 15357964 | 10.1016/j.bmcl.2004.06.059 | Melanocortin receptor 4 | 2 |
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocyte-stimulating hormone receptor | 1 |
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocortin receptor 3 | 1 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine