Compound Detail
CHEMBL1379604
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Basic Information
| ChEMBL ID | CHEMBL1379604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMNOCVUFCBKAEU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
253.8
MW (Da)
3.84
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
EC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1193.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.67 | 5.67 | 2113.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.35 | 5.35 | 4450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1193.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2113.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Protein RecA | EC50 | = | 4450.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine