Compound Detail
CHEMBL1562466
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Basic Information
| ChEMBL ID | CHEMBL1562466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSHLNQWVQAWODW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
0.65
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.51 | 5.145 | 3090.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.12 | 5.12 | 7520.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.09 | 5.09 | 8190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 3090.0 | nM | 5.51 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 7520.0 | nM | 5.12 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 8190.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| SUMO-activating enzyme | IC50 | = | 16600.0 | nM | 4.78 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine