Compound Detail
CHEMBL1523317
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Basic Information
| ChEMBL ID | CHEMBL1523317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOJQDQQMHMVETF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.52
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.26
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.57 | 4.57 | 27219.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.26 | 4.26 | 54600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 27219.0 | nM | 4.57 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Protein RecA | EC50 | = | 54600.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine