Compound Detail
CHEMBL5432198
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Basic Information
| ChEMBL ID | CHEMBL5432198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIGXCGHNOOQSDT-KRWDZBQOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 19.0 | nM | 7.72 | Antagonist activity at human MC4R in CHO cells measured for 24 hrs in presence o... | 36802610 |
| Melanocortin receptor 4 | IC50 | = | 240.0 | nM | 6.62 | Antagonist activity at human MC4R in CHO cells measured for 24 hrs | 36802610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36802610 | 10.1021/acs.jmedchem.2c02012 | Melanocortin receptor 4 | 2 |
| 36802610 | 10.1021/acs.jmedchem.2c02012 | ADMET | 2 |
| 36802610 | 10.1021/acs.jmedchem.2c02012 | Cytochrome P450 3A | 1 |
Data from ChEMBL 36 via Core Engine