Compound Detail
CHEMBL1719244
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Basic Information
| ChEMBL ID | CHEMBL1719244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRQGBZKOHQRHQP-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
4.46
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.98
EC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.94 | 1046.0 | 3 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.97 | 4.97 | 10673.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1046.0 | nM | 5.98 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 1070.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Unchecked | IC50 | = | 1365.0 | nM | 5.87 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 10673.0 | nM | 4.97 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Protein RecA | EC50 | = | 23300.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine