Compound Detail
CHEMBL1508839
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Basic Information
| ChEMBL ID | CHEMBL1508839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHCYOXYTVCQWBK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.39
ALogP
7
HBA
4
HBD
137.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
EC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.76 | 6.76 | 175.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.03 | 5.03 | 9360.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 175.0 | nM | 6.76 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| SUMO-activating enzyme | IC50 | = | 9360.0 | nM | 5.03 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine