Compound Detail
CHEMBL3960901
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 | CHEMBL3960901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRFYMDEHNCGGT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.86
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 7.84 | 7.84 | 14.5 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 7.54 | 7.54 | 28.7 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.29 | 7.29 | 50.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 0.8 | nM | 9.1 | JAK2 Inhibition Assay: To determine the inhibition constants (Ki), compounds wer... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 14.5 | nM | 7.84 | JAK3 Inhibition Assay: To determine inhibition constants (Ki), compounds were di... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 28.7 | nM | 7.54 | JAK1 and TYK2 Inhibition Assay: To determine inhibition constants (Ki), compound... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 50.9 | nM | 7.29 | JAK1 and TYK2 Inhibition Assay: To determine inhibition constants (Ki), compound... | - |
Data from ChEMBL 36 via Core Engine