Compound Detail
CHEMBL3193428
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Basic Information
| ChEMBL ID | CHEMBL3193428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTPHBFWUIVDPAV-DAEAJKMYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.80
ALogP
5
HBA
2
HBD
82.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.1
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.78 | 5.78 | 1666.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.74 | 1802.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.1 | 5.095 | 7970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1666.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | IC50 | = | 1802.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | EC50 | = | 7970.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 8070.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine