Compound Detail
CHEMBL1428566
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Basic Information
| ChEMBL ID | CHEMBL1428566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIEMDZDZGMJQLB-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.37
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.42
EC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.42 | 6.42 | 382.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.165 | 1519.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.23 | 5450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 382.84 | nM | 6.42 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 1519.0 | nM | 5.82 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 5450.0 | nM | 5.26 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 6370.0 | nM | 5.2 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 30710.0 | nM | 4.51 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine