Compound Detail
CHEMBL384636
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CCC(C)[C@H](NCCCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL384636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOPWJLPYCLOJEY-NZVRHLSZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
6.32
ALogP
4
HBA
2
HBD
61.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 30.0 | nM | 7.52 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16777413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine