Compound Detail
CHEMBL1442788
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Basic Information
| ChEMBL ID | CHEMBL1442788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCUQEDWZGMYONC-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
260.1
MW (Da)
3.51
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
EC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.25 | 6.25 | 558.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.57 | 5.57 | 2716.8 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.43 | 5.43 | 3745.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 5.2 | 5.2 | 6370.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.71 | 4.71 | 19617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 558.0 | nM | 6.25 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| G-protein coupled receptor 35 | IC50 | = | 2716.78 | nM | 5.57 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Melanocortin receptor 4 | IC50 | = | 3745.0 | nM | 5.43 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Kappa-type opioid receptor | EC50 | = | 6370.0 | nM | 5.2 | PUBCHEM_BIOASSAY: uHTS identification of small molecule agonists of the kappa op... | - |
| Unchecked | IC50 | = | 19617.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Counterscreen for biased ligands (antagonists) of the melanoco... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine