Compound Detail
CHEMBL1525669
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Basic Information
| ChEMBL ID | CHEMBL1525669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJYKWBIMPOHGAE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
3.35
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
EC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1794.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.42 | 5.42 | 3759.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1794.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 3759.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Protein RecA | EC50 | = | 13600.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine