Compound Detail
CHEMBL317210
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(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL317210 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | POSGXQYVXRDBTO-OBAATPRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
-1.81
ALogP
7
HBA
9
HBD
268.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 30000.0 | nM | 4.52 | Agonist activity to the mouse Melanocortin-1 receptor (mMC1R) | 12086493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086493 | 10.1021/jm010524p | Melanocyte-stimulating hormone receptor | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 3 | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 4 | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine