Compound Detail
CHEMBL12783
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CC(CN1CCN(CC(c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL12783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZPSLFYNTAUAHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
4.56
ALogP
5
HBA
0
HBD
30.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.73 | 6.585 | 188.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 188.0 | nM | 6.73 | In vitro ability to inhibit the binding of alpha [125I]NDP-MSH to the human Mela... | 12502354 |
| Melanocortin receptor 4 | IC50 | = | 364.0 | nM | 6.44 | In vitro ability to inhibit the binding of [125I]AGRP to the human Melanocortin ... | 12502354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502354 | 10.1021/jm0255522 | Melanocortin receptor 4 | 3 |
Data from ChEMBL 36 via Core Engine