Compound Detail
CHEMBL1497097
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Basic Information
| ChEMBL ID | CHEMBL1497097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGQSLIMKQSADBL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1622696 |
| Active Moiety | CHEMBL1622696 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.41
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
EC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.9 | 5.9 | 1251.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.46 | 5.46 | 3495.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.39 | 4.39 | 40800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1251.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 3495.0 | nM | 5.46 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Unchecked | IC50 | = | 40800.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine