Compound Detail
CHEMBL66966
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Basic Information
| ChEMBL ID | CHEMBL66966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOUMFZQKYFQNTF-ZZXKWVIFSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
1.76
ALogP
7
HBA
5
HBD
144.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.06
IC50 2 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.56 | 5.865 | 274.2 | 2 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.06 | 5.06 | 8751.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.87 | 4.87 | 13604.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 274.2 | nM | 6.56 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 6845.0 | nM | 5.17 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Zinc finger protein mex-5 | EC50 | = | 8751.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 13604.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 38665828 | 10.1039/d3md00455d | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine