Compound Detail
CHEMBL1431007
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Basic Information
| ChEMBL ID | CHEMBL1431007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTDZJWOLFMBCGV-NVNXTCNLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
3.87
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Guanyl-specific ribonuclease T1 CHEMBL1075043 | IC50 | 6.62 | 6.62 | 237.7 | 1 |
| Likely tRNA 2'-phosphotransferase CHEMBL1293308 | IC50 | 6.56 | 6.56 | 274.9 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 4.81 | 4.735 | 15630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Guanyl-specific ribonuclease T1 | IC50 | = | 237.68 | nM | 6.62 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of tRNA 2'-phosphotransferas... | - |
| Likely tRNA 2'-phosphotransferase | IC50 | = | 274.94 | nM | 6.56 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| SUMO-activating enzyme | IC50 | = | 15630.0 | nM | 4.81 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| SUMO-activating enzyme | IC50 | = | 22120.0 | nM | 4.66 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
Data from ChEMBL 36 via Core Engine