Compound Detail
CHEMBL125529
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O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)C(F)(F)F)CC1)[C@H]1Cc2ccccc2CN1
Basic Information
| ChEMBL ID | CHEMBL125529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISIZUFJRYJLUCU-CLJLJLNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
650.1
MW (Da)
3.69
ALogP
6
HBA
3
HBD
110.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 4400.0 | nM | 5.36 | Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expr... | 14552781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552781 | 10.1016/s0960-894x(03)00796-0 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine