Compound Detail
CHEMBL4871577
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]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL4871577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRBHITDMDNQMDY-GVBQWOKBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
601.9
MW (Da)
6.21
ALogP
3
HBA
3
HBD
72.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.21 | 6.21 | 610.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 5.88 | 5.88 | 1330.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 610.0 | nM | 6.21 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 33886285 |
| Melanocortin receptor 4 | EC50 | = | 1330.0 | nM | 5.88 | Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells asse... | 33886285 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 7000.0 | nM | 5.16 | Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse... | 33886285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocyte-stimulating hormone receptor | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 3 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 4 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine