Compound Detail
CHEMBL435933
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O=C([C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccccc1)N1CCN(c2ccccc2CNCCc2cccs2)CC1
Basic Information
| ChEMBL ID | CHEMBL435933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUMWIWZNRUYPJW-WJOKGBTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.6
MW (Da)
6.44
ALogP
5
HBA
2
HBD
47.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 31.0 | nM | 7.51 | 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 | 2 |
Data from ChEMBL 36 via Core Engine