Compound Detail
CHEMBL3214200
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Basic Information
| ChEMBL ID | CHEMBL3214200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAGYRXCHJNKGDS-YBFXNURJSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.64
ALogP
6
HBA
2
HBD
87.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
EC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.32 | 2183.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.44 | 5.44 | 3619.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.75 | 4.75 | 17581.6 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.62 | 4.62 | 24230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2183.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 3619.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | IC50 | = | 10470.0 | nM | 4.98 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Unchecked | EC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Heat shock protein HSP90 | IC50 | = | 17581.6 | nM | 4.75 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Leucine aminopeptidase | IC50 | = | 24230.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine