Compound Detail
CHEMBL3213476
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Basic Information
| ChEMBL ID | CHEMBL3213476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYAAEQJJWKZBFR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3306781 |
| Active Moiety | CHEMBL3306781 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.57
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.57 | 6.57 | 271.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.24 | 5.24 | 5825.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 271.0 | nM | 6.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 5825.0 | nM | 5.24 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
Data from ChEMBL 36 via Core Engine