Compound Detail
CHEMBL1401891
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Basic Information
| ChEMBL ID | CHEMBL1401891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQVPUUQTGFAENE-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
2.66
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.93
IC50 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.93 | 5.93 | 1169.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.91 | 5.91 | 1232.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.65 | 5.65 | 2262.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.58 | 5.58 | 2601.0 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.5 | 5.5 | 3136.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.45 | 4.45 | 35733.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1169.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Zinc finger protein mex-5 | EC50 | = | 1232.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 2262.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based bioche... | - |
| RNA-binding protein pos-1 | EC50 | = | 2601.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 3136.0 | nM | 5.5 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Streptokinase A | EC50 | = | 35733.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine