Compound Detail
CHEMBL1361173
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Basic Information
| ChEMBL ID | CHEMBL1361173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBKOWVOSSLUPDI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.03
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.37
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.17 | 4308.0 | 3 |
| Protein RecA CHEMBL1741171 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.68 | 4.68 | 20950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4308.0 | nM | 5.37 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 5020.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Unchecked | IC50 | = | 14405.0 | nM | 4.84 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Protein RecA | EC50 | = | 15700.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 19400.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 20950.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine