Compound Detail
CHEMBL1557820
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Basic Information
| ChEMBL ID | CHEMBL1557820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEXPLGPKTJVGOT-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
3.47
ALogP
8
HBA
0
HBD
69.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
EC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 787.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.54 | 5.54 | 2906.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.2 | 5.2 | 6263.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.7 | 4.7 | 19895.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 787.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Protein RecA | EC50 | = | 1030.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2906.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| CHO | IC50 | = | 6263.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 19895.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine