Compound Detail
CHEMBL239103
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Basic Information
| ChEMBL ID | CHEMBL239103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOBNGGDCRDDODL-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.61
ALogP
7
HBA
4
HBD
125.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.62
EC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.01 | 5.01 | 9697.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.77 | 4.77 | 17144.0 | 1 |
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 4.62 | 4.62 | 24160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 9697.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 17144.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Transitional endoplasmic reticulum ATPase | IC50 | = | 24160.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response biochemical high throughput screening assay for ... | - |
| Unchecked | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Escherichia coli DNA gyrase B ATPase activity | 20045642 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotomet... | 19419876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 2 |
| 17918823 | 10.1021/jm070687z | Unchecked | 1 |
| 19419876 | 10.1016/j.bmc.2009.04.030 | Fructose-1,6-bisphosphatase 1 | 1 |
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine