Compound Detail
CHEMBL1538692
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Basic Information
| ChEMBL ID | CHEMBL1538692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLFPCJRGYHIIEA-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.81
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.89 | 5.54 | 1273.0 | 3 |
| HEK293 CHEMBL614818 | EC50 | 5.5 | 5.5 | 3140.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.28 | 5.28 | 5243.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.11 | 4.11 | 77491.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 1273.0 | nM | 5.89 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 1511.0 | nM | 5.82 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | EC50 | = | 3140.0 | nM | 5.5 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| COUP transcription factor 2 | IC50 | = | 5243.0 | nM | 5.28 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 12361.05 | nM | 4.91 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
| Tegument protein VP16 | IC50 | = | 77491.0 | nM | 4.11 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine