Compound Detail
CHEMBL4476801
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Basic Information
| ChEMBL ID | CHEMBL4476801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALXCGHGMHUVLDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
2.55
ALogP
6
HBA
3
HBD
112.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues... | 32297743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32297743 | 10.1021/acs.jmedchem.9b01392 | Tyrosine-protein kinase JAK1 | 1 |
| 32297743 | 10.1021/acs.jmedchem.9b01392 | Tyrosine-protein kinase JAK2 | 1 |
| 32297743 | 10.1021/acs.jmedchem.9b01392 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine