Compound Detail
CHEMBL466380
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
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL466380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJSDVHQHZYTQEH-ULNSLHSMSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
3.22
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.95 | 6.95 | 113.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.7 | 6.7 | 201.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 5.97 | 5.97 | 1076.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 5.86 | 5.86 | 1389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on C... | 18771254 |
| Melanocortin receptor 4 | Ki | = | 8.0 | nM | 8.1 | Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK2... | 18771254 |
| Melanocortin receptor 3 | EC50 | = | 113.0 | nM | 6.95 | Agonist activity at human MC3R expressed in HEK293 cells assessed as effect on C... | 18771254 |
| Melanocortin receptor 3 | Ki | = | 201.0 | nM | 6.7 | Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK2... | 18771254 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1076.0 | nM | 5.97 | Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on C... | 18771254 |
| Melanocyte-stimulating hormone receptor | Ki | = | 1389.0 | nM | 5.86 | Displacement of europium-labeled NDP-alpha-MSH from human MC1R expressed in HEK2... | 18771254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18771254 | 10.1021/jm800525p | Melanocyte-stimulating hormone receptor | 3 |
| 18771254 | 10.1021/jm800525p | Melanocortin receptor 3 | 3 |
| 18771254 | 10.1021/jm800525p | Melanocortin receptor 4 | 3 |
| 18771254 | 10.1021/jm800525p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine