Compound Detail
CHEMBL1981883
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Basic Information
| ChEMBL ID | CHEMBL1981883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWZCZZCNLMDIIW-QGMBQPNBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
5.66
ALogP
3
HBA
1
HBD
32.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.56 | 1149.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.23 | 5.23 | 5938.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1149.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 5938.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | IC50 | = | 6526.0 | nM | 5.18 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Data from ChEMBL 36 via Core Engine