Compound Detail
CHEMBL196168
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Basic Information
| ChEMBL ID | CHEMBL196168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJTFHIFZYXHLNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.58
ALogP
5
HBA
3
HBD
82.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.41 | 6.06 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 390.0 | nM | 6.41 | Inhibitory activity towards melanin-concentrating hormone receptor 1 in IMR32 ce... | 16085414 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1940.0 | nM | 5.71 | Inhibitory concentration against MCH1R IMR32 cells in FLIPR-based assay | 16085414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16085414 | 10.1016/j.bmcl.2005.06.089 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine