Compound Detail
CHEMBL257616
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CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc3ccccc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL257616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKPWIYNAJFNIBS-CEUYOYMZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.2
MW (Da)
7.30
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.28 | 6.28 | 528.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 5.72 | 5.72 | 1922.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 528.0 | nM | 6.28 | Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells | 18479920 |
| Melanocortin receptor 4 | EC50 | = | 1922.0 | nM | 5.72 | Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release | 18479920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479920 | 10.1016/j.bmcl.2008.04.049 | Melanocortin receptor 4 | 3 |
Data from ChEMBL 36 via Core Engine