Compound Detail
CHEMBL236980
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CC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL236980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHXZDXXFVJJJFD-IMMUGOHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
4.08
ALogP
5
HBA
2
HBD
91.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 39.0 | nM | 7.41 | Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells | 17994683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994683 | 10.1021/jm701137s | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine