Compound Detail
CHEMBL198789
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Basic Information
| ChEMBL ID | CHEMBL198789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJDWPYRCMZHFTB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.52
ALogP
5
HBA
3
HBD
81.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.3 | 6.86 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Binding affinity to human MCHr1 from neuronal IMR32 cells | 16203136 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 380.0 | nM | 6.42 | Functional antagonism of MCH-mediated calcium release by FLIPR using human MCHr1... | 16203136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203136 | 10.1016/j.bmcl.2005.08.049 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine