Compound Detail
CHEMBL1583186
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Basic Information
| ChEMBL ID | CHEMBL1583186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMUBBYXIJZVCFD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
5.32
ALogP
5
HBA
1
HBD
58.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.89 | 5.89 | 1289.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.78 | 5.4333 | 1678.0 | 3 |
| HEK293 CHEMBL614818 | EC50 | 5.58 | 5.58 | 2620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 1289.0 | nM | 5.89 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| HEK293 | IC50 | = | 1678.0 | nM | 5.78 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | EC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 3080.0 | nM | 5.51 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 9778.07 | nM | 5.01 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine