Compound Detail
CHEMBL1469444
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Basic Information
| ChEMBL ID | CHEMBL1469444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMXWBTFGOFPWHN-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.30
ALogP
4
HBA
1
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.27
EC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plectin CHEMBL1293240 | IC50 | 5.27 | 5.13 | 5406.0 | 2 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.12 | 5.12 | 7579.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.06 | 5.06 | 8798.0 | 1 |
| Fibrinogen beta chain CHEMBL2048 | IC50 | 4.95 | 4.95 | 11320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plectin | IC50 | = | 5406.0 | nM | 5.27 | PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory... | - |
| Zinc finger protein mex-5 | EC50 | = | 7579.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 8798.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Plectin | IC50 | = | 10301.0 | nM | 4.99 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the bindi... | - |
| Fibrinogen beta chain | IC50 | = | 11320.0 | nM | 4.95 | PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine