Compound Detail
CHEMBL195172
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O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL195172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOOWHGMISVYFBR-MUUNZHRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
3.99
ALogP
7
HBA
3
HBD
102.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 3600.0 | nM | 5.44 | Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using ... | 15863313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863313 | 10.1016/j.bmcl.2005.03.053 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine