Compound Detail
CHEMBL379417
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COCC(C)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1
Basic Information
| ChEMBL ID | CHEMBL379417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXVGTUIMFVMYEF-WBPHRXDCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
2.24
ALogP
7
HBA
3
HBD
112.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 87.0 | nM | 7.06 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16697187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine