Compound Detail
CHEMBL1374016
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Basic Information
| ChEMBL ID | CHEMBL1374016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPBFGDXTHAEIK-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.90
ALogP
7
HBA
3
HBD
109.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
EC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.8 | 5.8 | 1595.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.38 | 5.38 | 4194.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.32 | 5.32 | 4737.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.13 | 5.13 | 7324.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.56 | 4.475 | 27500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 1595.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| RNA-binding protein pos-1 | EC50 | = | 4194.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 4737.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 7324.0 | nM | 5.13 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 27500.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 40800.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
Data from ChEMBL 36 via Core Engine