Compound Detail
CHEMBL211742
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
COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1
Basic Information
| ChEMBL ID | CHEMBL211742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBPXZGGCEYINEX-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
584.5
MW (Da)
4.13
ALogP
6
HBA
2
HBD
86.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3500.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16697187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Rattus norvegicus | 1 |
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Liver microsomes | 1 |
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine