Compound Detail
CHEMBL5999031
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Basic Information
| ChEMBL ID | CHEMBL5999031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCIPDQZXZIDXPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
4.07
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 550.0 | nM | 6.26 | JAK3 Inhibition Assay: Recombinant human JAK3 catalytic domain (amino acids 781-... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 750.0 | nM | 6.12 | TYK2 Inhibition Assay: Recombinant human TYK2 catalytic domain (amino acids 871-... | - |
Data from ChEMBL 36 via Core Engine