Compound Detail
CHEMBL1366727
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Basic Information
| ChEMBL ID | CHEMBL1366727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMBONPJLQVAPQD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.55
ALogP
6
HBA
2
HBD
115.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.59
EC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.59 | 5.2933 | 2548.5 | 3 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.48 | 5.48 | 3333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 560.0 | nM | 6.25 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 2548.5 | nM | 5.59 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| COUP transcription factor 2 | IC50 | = | 3333.0 | nM | 5.48 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 3471.0 | nM | 5.46 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 14640.3 | nM | 4.83 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine