Compound Detail
CHEMBL4594275
GUSACITINIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4594275 |
| Name | GUSACITINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NLFLXLJXEIUQDL-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
5
Known Names
8
Indications
2
Mechanisms
Molecular Properties
460.5
MW (Da)
2.55
ALogP
9
HBA
3
HBD
134.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Janus Kinase (JAK) inhibitor | INHIBITOR | Janus Kinase (JAK) | ✓ | ✓ |
| Tyrosine-protein kinase SYK inhibitor | INHIBITOR | Tyrosine-protein kinase SYK | ✓ | ✓ |
Indications
Dermatitis Dermatitis Dermatitis, Atopic Autoimmune Diseases Hematologic Neoplasms Lymphoma, Follicular Lymphoma, Large B-Cell, Diffuse Lymphoma, Mantle-Cell
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Janus Kinase (JAK) CHEMBL2363062 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of JAK2 (unknown origin) by flow cytometry analysis | 35749986 |
| Janus Kinase (JAK) | IC50 | = | 5.0 | nM | 8.3 | Inhibition of JAK (unknown origin) | 33539089 |
| Tyrosine-protein kinase SYK | IC50 | = | 5.0 | nM | 8.3 | Inhibition of SYK (unknown origin) by flow cytometry analysis | 35749986 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of TYK2 (unknown origin) by flow cytometry analysis | 35749986 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of JAK3 (unknown origin) by flow cytometry analysis | 35749986 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of JAK1 (unknown origin) by flow cytometry analysis | 35749986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Janus Kinase (JAK) | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Tyrosine-protein kinase JAK1 | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Tyrosine-protein kinase JAK2 | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Tyrosine-protein kinase JAK3 | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Tyrosine-protein kinase SYK | 1 |
| 35749986 | 10.1016/j.ejmech.2022.114551 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine