Compound Detail
CHEMBL217196
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Basic Information
| ChEMBL ID | CHEMBL217196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQOASLXUOYHQBH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.54
ALogP
4
HBA
0
HBD
45.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.83
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 6.83 | 6.83 | 148.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 148.0 | nM | 6.83 | Functional antagonism of MCH-R1 expressed in HEK293 cells | 17174091 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 150.0 | nM | 6.82 | Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressi... | 31678007 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 5300.0 | nM | 5.28 | Inhibition of binding to serotonin receptor 5HT2C | 17174091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17174091 | 10.1016/j.bmcl.2006.10.096 | 5-hydroxytryptamine receptor 2C | 1 |
| 17174091 | 10.1016/j.bmcl.2006.10.096 | Melanin-concentrating hormone receptor 1 | 1 |
| 31678007 | 10.1016/j.bmcl.2019.126741 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine