Compound Detail
CHEMBL1287854
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Basic Information
| ChEMBL ID | CHEMBL1287854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFNKQEVNSGCOJV-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
83.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human JAK2 by radiometric assay | 33570945 |
| Unchecked | IC50 | = | 1040.0 | nM | 5.98 | Growth inhibition of human UKE-1 cells incubated for 72 hrs by Cell-titer blue a... | 33570945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 33570945 | 10.1021/acs.jmedchem.0c01952 | Tyrosine-protein kinase JAK2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33570945 | 10.1021/acs.jmedchem.0c01952 | Unchecked | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine