Compound Detail
CHEMBL5889676
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 | CHEMBL5889676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQBFYPGGEFCITG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.21
ALogP
5
HBA
1
HBD
82.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.55 | 7.465 | 2.8 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.8 | nM | 8.55 | In Vitro JAK Kinase Inhibition Test: Kinases used were human-derived JAK1, JAK2,... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 198.0 | nM | 6.7 | In Vitro JAK Kinase Inhibition Test: Kinases used were human-derived JAK1, JAK2,... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 422.0 | nM | 6.38 | In Vitro JAK Kinase Inhibition Test: Kinases used were human-derived JAK1, JAK2,... | - |
Data from ChEMBL 36 via Core Engine