Compound Detail
CHEMBL4650343
IZENCITINIB 🧪 Phase II
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
🧪 Phase II
Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL4650343 |
| Name | IZENCITINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DADAEARVGOQWHV-OSYLJGHBSA-N |
5
Targets
16
Activities
3
Assay Types
0
PK Parameters
7
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
402.5
MW (Da)
3.73
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Janus Kinase (JAK) inhibitor | INHIBITOR | Janus Kinase (JAK) | ✓ | ✓ |
Indications
Colitis, Ulcerative Crohn Disease Inflammatory Bowel Diseases
Activity Summary
Ki 12 meas. best 10.0
IC50 3 meas. best 8.0
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 10.0 | 9.63 | 0.1 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 10.0 | 9.63 | 0.1 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.5 | 8.83 | 0.3 | 4 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 8.8 | 7.675 | 1.6 | 4 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33539089 | 10.1021/acs.jmedchem.0c01467 | SARS-CoV-2 | 2 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Tyrosine-protein kinase JAK3 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Tyrosine-protein kinase JAK1 | 1 |
| 37793326 | 10.1016/j.ejmech.2023.115848 | Tyrosine-protein kinase JAK1 | 1 |
| 37793326 | 10.1016/j.ejmech.2023.115848 | Tyrosine-protein kinase JAK2 | 1 |
| 37793326 | 10.1016/j.ejmech.2023.115848 | Tyrosine-protein kinase JAK3 | 1 |
| 37793326 | 10.1016/j.ejmech.2023.115848 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine