Compound Detail
CHEMBL5424497
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Basic Information
| ChEMBL ID | CHEMBL5424497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGFGLAJKHODMGZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.92
ALogP
6
HBA
4
HBD
135.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Kd | 10.72 | 8.62 | 0.0 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Kd | 9.28 | 9.28 | 0.5 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 6.72 | 6.72 | 190.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.317 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Kd | = | 0.019 | nM | 10.72 | Binding affinity to human recombinant TYK2 (556 to 871 residues) incubated for 1... | 37578217 |
| Tyrosine-protein kinase JAK1 | Kd | = | 0.52 | nM | 9.28 | Binding affinity to JAK1 JH2 (unknown origin) assessed as dissociation constant | 37578217 |
| Tyrosine-protein kinase JAK2 | Kd | = | 190.0 | nM | 6.72 | Binding affinity to wild type JAK2 JH2 (unknown origin) assessed as dissociation... | 37578217 |
| Non-receptor tyrosine-protein kinase TYK2 | Kd | = | 300.0 | nM | 6.52 | Binding affinity to TYK2 JH1 domain (unknown origin) assessed as dissociation co... | 37578217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Tyrosine-protein kinase JAK2 | 1 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Tyrosine-protein kinase JAK1 | 1 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | ADMET | 1 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine