Compound Detail
CHEMBL5314423
ZASOCITINIB 🧪 Phase III
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🧪 Phase III
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
Basic Information
| ChEMBL ID | CHEMBL5314423 |
| Name | ZASOCITINIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BWINBHTTZLVXGT-NVXWUHKLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
8
Indications
Molecular Properties
460.5
MW (Da)
1.97
ALogP
10
HBA
3
HBD
127.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Psoriasis Psoriasis Arthritis, Psoriatic Colitis, Ulcerative Crohn Disease Inflammation Kidney Diseases Liver Diseases
Activity Summary
Kd 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Kd | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to JAK1 JH2 (unknown origin) assessed as dissociation constant | 37578217 |
| Tyrosine-protein kinase JAK1 | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to JAK1 JH2 (unknown origin) | 36951608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Tyrosine-protein kinase JAK1 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine