Compound Detail
CHEMBL3667517
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Basic Information
| ChEMBL ID | CHEMBL3667517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNAVEOJHRAGDMN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
1.90
ALogP
11
HBA
1
HBD
140.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 2.6 | nM | 8.59 | Inhibition Assay: The activity of the isolated JAK1, JAK2 or TYK2 kinase domain ... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 4.2 | nM | 8.38 | Inhibition Assay: The activity of the isolated JAK1, JAK2 or TYK2 kinase domain ... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 65.0 | nM | 7.19 | Inhibition Assay: The activity of the isolated JAK1, JAK2 or TYK2 kinase domain ... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 210.0 | nM | 6.68 | Inhibition Assay: The activity of the isolated JAK3 kinase domain was measured b... | - |
Data from ChEMBL 36 via Core Engine