Compound Detail
CHEMBL140155
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CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL140155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNEVNNMBIGDVSA-WUFINQPMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
600.8
MW (Da)
2.50
ALogP
6
HBA
3
HBD
141.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.97 | 6.97 | 108.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 108.0 | nM | 6.97 | Evaluated for binding affinity against Melanocortin-4 receptor by displacing [12... | 12361385 |
| Melanocortin receptor 4 | IC50 | = | 108.0 | nM | 6.97 | Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells | 15615531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615531 | 10.1021/jm049278i | Melanocortin receptor 4 | 3 |
| 12361385 | 10.1021/jm025539h | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine