Compound Detail
CHEMBL77072
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Basic Information
| ChEMBL ID | CHEMBL77072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMXFKGCLUAFLMH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.83
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.98
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.98 | 4.98 | 10400.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1590.0 | nM | 5.8 | Concentration required to inhibit binding of [125I]MCH radioligand to human mela... | 15341942 |
| Unchecked | Ki | = | 10400.0 | nM | 4.98 | Displacement of [3H]5-HT from 5-hydroxytryptamine 1 receptor of rat cortical mem... | 3783595 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 35000.0 | nM | 4.46 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortic... | 3783595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783595 | 10.1021/jm00161a038 | Unchecked | 1 |
| 3783595 | 10.1021/jm00161a038 | Serotonin 2 (5-HT2) receptor | 1 |
| 15341942 | 10.1016/j.bmcl.2004.07.032 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine