Compound Detail
CHEMBL1427801
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Basic Information
| ChEMBL ID | CHEMBL1427801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLWBFTBOPUZRIV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.99
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.32 | 5.32 | 4749.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 1020.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 4749.0 | nM | 5.32 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
Data from ChEMBL 36 via Core Engine