Compound Detail
CHEMBL1320669
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Basic Information
| ChEMBL ID | CHEMBL1320669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXHFEOAFQXPYIJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.43
ALogP
5
HBA
1
HBD
60.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.97
EC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.97 | 6.97 | 105.9 | 1 |
| HEK293 CHEMBL614818 | EC50 | 6.25 | 6.25 | 566.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 6.09 | 6.09 | 807.1 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.69 | 5.28 | 2054.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 105.94 | nM | 6.97 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| HEK293 | EC50 | = | 566.0 | nM | 6.25 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| COUP transcription factor 2 | IC50 | = | 807.07 | nM | 6.09 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 2054.0 | nM | 5.69 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 13422.94 | nM | 4.87 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine