Compound Detail
CHEMBL382126
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Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc12
Basic Information
| ChEMBL ID | CHEMBL382126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDFNCIDUFIPIII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
6.43
ALogP
6
HBA
1
HBD
74.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 162.0 | nM | 6.79 | Inhibition of human MCH1 receptor by SPA assay | 16289819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289819 | 10.1016/j.bmcl.2005.10.066 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine