Compound Detail
CHEMBL2113143
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CS(=O)(=O)N1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL2113143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJJGDSBKOFFGTB-LOYHVIPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
636.2
MW (Da)
2.75
ALogP
6
HBA
2
HBD
102.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 3900.0 | nM | 5.41 | Inhibition of [125I]-NDP MSH binding towards human melanocortin 4 receptor | 16112861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16112861 | 10.1016/j.bmcl.2005.07.035 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine