Compound Detail
CHEMBL1603001
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Basic Information
| ChEMBL ID | CHEMBL1603001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYRMFONFWQTEGD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1625429 |
| Active Moiety | CHEMBL1625429 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
EC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.37 | 6.37 | 430.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.12 | 6.12 | 767.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.79 | 5.79 | 1608.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.66 | 5.66 | 2212.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.34 | 4.34 | 45300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 430.23 | nM | 6.37 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | EC50 | = | 767.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1608.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| COUP transcription factor 2 | IC50 | = | 2212.0 | nM | 5.66 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 33400.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 45300.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
Data from ChEMBL 36 via Core Engine