Compound Detail
CHEMBL1329141
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Basic Information
| ChEMBL ID | CHEMBL1329141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYOKRGAYEGWMIS-XYOKQWHBSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.13
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.59
EC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.59 | 5.59 | 2570.0 | 1 |
| Likely tRNA 2'-phosphotransferase CHEMBL1293308 | IC50 | 5.1 | 5.1 | 8006.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.98 | 4.98 | 10384.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.97 | 4.97 | 10804.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | IC50 | = | 2570.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Likely tRNA 2'-phosphotransferase | IC50 | = | 8006.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| RNA-binding protein pos-1 | EC50 | = | 10384.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 10804.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Envelope glycoprotein gp160 | IC50 | = | 12600.0 | nM | 4.9 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine