Compound Detail
CHEMBL449124
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
N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL449124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWJDTXJYFDVXAU-NBRFXYHLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
916.0
MW (Da)
1.62
ALogP
10
HBA
10
HBD
309.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | IC50 | = | 560.0 | nM | 6.25 | Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 5 recepto... | 18412316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18412316 | 10.1021/jm701181n | Melanocyte-stimulating hormone receptor | 3 |
| 18412316 | 10.1021/jm701181n | Melanocortin receptor 3 | 3 |
| 18412316 | 10.1021/jm701181n | Melanocortin receptor 4 | 3 |
| 18412316 | 10.1021/jm701181n | Melanocortin receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine