Compound Detail
CHEMBL1370120
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Basic Information
| ChEMBL ID | CHEMBL1370120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRLBWNBOGSIOSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.35
ALogP
6
HBA
0
HBD
65.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.68 | 5.68 | 2083.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.75 | 4.75 | 17942.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | IC50 | = | 2083.0 | nM | 5.68 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Estrogen receptor | IC50 | = | 17942.59 | nM | 4.75 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Data from ChEMBL 36 via Core Engine