Compound Detail
CHEMBL182277
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
CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL182277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQEGHBZHMJPPPE-HHVGGRFMSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
643.3
MW (Da)
4.40
ALogP
6
HBA
4
HBD
88.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
EC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| HEK293 CHEMBL614818 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 6.3 | nM | 8.2 | Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cell... | 15664867 |
| HEK293 | EC50 | = | 31.0 | nM | 7.51 | Antagonist activity towards alpha-MSH stimulated accumulation of cAMP in HEK 293... | 15664867 |
| Melanocortin receptor 3 | Ki | = | 1900.0 | nM | 5.72 | Binding affinity for human melanocortin 3 receptor | 15664867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664867 | 10.1016/j.bmcl.2004.10.096 | Melanocortin receptor 4 | 1 |
| 15664867 | 10.1016/j.bmcl.2004.10.096 | Melanocortin receptor 3 | 1 |
| 15664867 | 10.1016/j.bmcl.2004.10.096 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine