Compound Detail
CHEMBL3670395
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Basic Information
| ChEMBL ID | CHEMBL3670395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXTIPRCZMLWKFL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.22
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 7.4 | 7.4 | 39.7 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 7.33 | 7.33 | 46.6 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 1.6 | nM | 8.8 | JAK2 Inhibition Assay: To determine the inhibition constants (Ki), compounds wer... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 39.7 | nM | 7.4 | JAK3 Inhibition Assay: To determine inhibition constants (Ki), compounds were di... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 46.6 | nM | 7.33 | JAK1 and TYK2 Inhibition Assay: To determine inhibition constants (Ki), compound... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 152.0 | nM | 6.82 | JAK1 and TYK2 Inhibition Assay: To determine inhibition constants (Ki), compound... | - |
Data from ChEMBL 36 via Core Engine