Compound Detail
CHEMBL185934
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COc1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL185934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMEPENINJNEJNC-HHHXNRCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.6
MW (Da)
3.66
ALogP
6
HBA
3
HBD
117.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.6 | 6.6 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 250.0 | nM | 6.6 | Inhibition of [125I]NDP-MSH (radioligand) binding to the hMC4R stably expressed ... | 15950470 |
| Melanocortin receptor 4 | Ki | = | 250.0 | nM | 6.6 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16697187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15950470 | 10.1016/j.bmcl.2005.05.017 | Melanocortin receptor 4 | 2 |
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine