Compound Detail
CHEMBL1456712
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Basic Information
| ChEMBL ID | CHEMBL1456712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMVXUYSDBXPIN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
5.28
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.65
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.6
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.42 | 5.42 | 3817.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | IC50 | = | 3817.0 | nM | 5.42 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 25000.0 | nM | 4.6 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
Data from ChEMBL 36 via Core Engine