Compound Detail
CHEMBL1498517
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Basic Information
| ChEMBL ID | CHEMBL1498517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMBFDDSLYMRBIX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
246.7
MW (Da)
1.88
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.99
EC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.5133 | 1025.0 | 3 |
| Protein RecA CHEMBL1741171 | EC50 | 5.21 | 5.21 | 6190.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 4.97 | 4.97 | 10610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1025.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | IC50 | = | 3250.0 | nM | 5.49 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Protein RecA | EC50 | = | 6190.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 8620.0 | nM | 5.06 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 10610.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
Data from ChEMBL 36 via Core Engine