Compound Detail
CHEMBL1528757
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Basic Information
| ChEMBL ID | CHEMBL1528757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFRMIDLDUGFWJO-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
2.73
ALogP
4
HBA
2
HBD
70.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.79
EC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.32 | 5.32 | 4820.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.46 | 4.46 | 34704.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 1610.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Protein RecA | EC50 | = | 4820.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 32700.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Heat shock protein HSP90 | IC50 | = | 34704.1 | nM | 4.46 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Data from ChEMBL 36 via Core Engine