Compound Detail
CHEMBL251784
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CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL251784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVAFVQVUSUWETG-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.0
MW (Da)
6.32
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.47
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.09 | 6.09 | 810.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 810.0 | nM | 6.09 | Binding affinity at human MC4R | 18082401 |
| Melanocortin receptor 4 | Ki | = | 810.0 | nM | 6.09 | Binding affinity to MC4 receptor | 18294847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18082401 | 10.1016/j.bmcl.2007.11.128 | Melanocortin receptor 4 | 1 |
| 18294847 | 10.1016/j.bmcl.2008.01.125 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine