Compound Detail
CHEMBL4802163
NEZULCITINIB 🧪 Phase II
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🧪 Phase II
CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL4802163 |
| Name | NEZULCITINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VQIIUJSNIKEMCK-MHZLTWQESA-N |
4
Targets
16
Activities
2
Assay Types
0
PK Parameters
0
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
527.7
MW (Da)
3.80
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.35
QED
1
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
Acute Lung Injury COVID-19 Severe Acute Respiratory Syndrome
Activity Summary
Ki 15 meas. best 10.49
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 10.49 | 10.49 | 0.0 | 4 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 10.2 | 10.2 | 0.1 | 4 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 10.2 | 10.2 | 0.1 | 4 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.1 | 9.1 | 0.8 | 3 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine