Compound Detail
CHEMBL203252
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
CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccccc1)NC(C)=O)Cc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL203252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPCVSBWCJADVSG-NSWFQPGNSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
723.9
MW (Da)
3.68
ALogP
5
HBA
6
HBD
180.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.43
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 4.63 | 4.63 | 23400.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 4.26 | 4.26 | 55474.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 20.0 | nM | 7.7 | Agonist potency at MC4 receptor | 16376076 |
| Melanocortin receptor 4 | Ki | = | 37.0 | nM | 7.43 | Binding affinity to MC4 receptor | 16376076 |
| Melanocyte-stimulating hormone receptor | Ki | = | 23400.0 | nM | 4.63 | Binding affinity to MC1 receptor | 16376076 |
| Melanocortin receptor 3 | Ki | = | 55474.0 | nM | 4.26 | Binding affinity to MC3 receptor | 16376076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16376076 | 10.1016/j.bmcl.2005.12.005 | Melanocortin receptor 4 | 3 |
| 16376076 | 10.1016/j.bmcl.2005.12.005 | Melanocyte-stimulating hormone receptor | 1 |
| 16376076 | 10.1016/j.bmcl.2005.12.005 | Melanocortin receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine