Compound Detail
CHEMBL1569724
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Basic Information
| ChEMBL ID | CHEMBL1569724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTBFFGIYYRJDIR-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
2.27
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.5
EC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.78 | 5.78 | 1650.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.7 | 5.7 | 2016.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.27 | 5.0033 | 5366.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| HEK293 | EC50 | = | 1650.0 | nM | 5.78 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| COUP transcription factor 2 | IC50 | = | 2016.0 | nM | 5.7 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 5366.0 | nM | 5.27 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 9071.0 | nM | 5.04 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 19945.27 | nM | 4.7 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine