Compound Detail
CHEMBL1980982
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1980982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNVXAXAJLFXSKP-SQFISAMPSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.8
MW (Da)
2.57
ALogP
3
HBA
0
HBD
34.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.31 | 5.806 | 489.0 | 5 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.11 | 5.11 | 7757.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 489.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 490.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 570.0 | nM | 6.24 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 744.0 | nM | 6.13 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | IC50 | = | 2860.0 | nM | 5.54 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 7757.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | IC50 | = | 15500.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
Data from ChEMBL 36 via Core Engine