Compound Detail
CHEMBL3936761
ZANUBRUTINIB 💊 Approved Drug
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💊 Approved Drug
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1
Basic Information
| ChEMBL ID | CHEMBL3936761 |
| Name | ZANUBRUTINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RNOAOAWBMHREKO-QFIPXVFZSA-N |
| Therapeutic | ✓ Yes |
24
Targets
89
Activities
3
Assay Types
15
PK Parameters
20
Publications
3
Known Names
20
Indications
1
Mechanisms
Molecular Properties
471.6
MW (Da)
4.22
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2019 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase BTK inhibitor | INHIBITOR | Tyrosine-protein kinase BTK | ✓ | ✓ |
Indications
Lymphoma, Mantle-Cell Neoplasms Neoplasms Waldenstrom Macroglobulinemia Leukemia, Lymphocytic, Chronic, B-Cell Lymphohistiocytosis, Hemophagocytic Lymphoma, Follicular Lymphoma, Follicular Lymphoma, Large B-Cell, Diffuse Lymphoma, Non-Hodgkin Anemia, Hemolytic, Autoimmune Castleman Disease Immunoglobulin G4-Related Disease Kidney Diseases Leukemia, Lymphoid Lupus Nephritis Lymphoma Lymphoma, B-Cell, Marginal Zone Neuromyelitis Optica Paraproteinemias
ATC Classification
L01EL03
zanubrutinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 77 meas. best 9.52
Kd 10 meas. best 8.34
EC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.52 | 8.8871 | 0.3 | 17 |
| OCI-Ly10 CHEMBL4483285 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
| Rec1 CHEMBL4483266 | IC50 | 9.44 | 9.44 | 0.4 | 2 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 9.21 | 8.214 | 0.6 | 5 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 8.95 | 8.1133 | 1.1 | 3 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 8.8 | 8.0133 | 1.6 | 3 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 8.77 | 7.8183 | 1.7 | 6 |
| Tyrosine-protein kinase BTK CHEMBL5251 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.62 | 7.7933 | 2.4 | 9 |
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 8.53 | 7.8333 | 3.0 | 3 |
| TMD8 CHEMBL4296503 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | Kd | 8.34 | 8.34 | 4.6 | 1 |
| Tyrosine-protein kinase Tec CHEMBL4246 | Kd | 7.75 | 7.75 | 18.0 | 1 |
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 7.48 | 7.48 | 33.0 | 2 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.3 | 6.6557 | 50.0 | 7 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | Kd | 7.21 | 7.21 | 61.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | Kd | 7.12 | 7.12 | 76.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 6.81 | 6.81 | 155.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.73 | 6.73 | 187.0 | 2 |
| Tyrosine-protein kinase FRK CHEMBL4223 | IC50 | 6.42 | 6.42 | 379.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Platelet glycoprotein VI CHEMBL3308912 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.28 | 6.28 | 530.0 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.24 | 6.24 | 580.0 | 2 |
| Tyrosine-protein kinase TXK CHEMBL4367 | Kd | 6.01 | 6.01 | 980.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Kd | 5.36 | 5.36 | 4400.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.29 | 5.29 | 5095.0 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | Kd | 5.26 | 5.26 | 5500.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.84 | 4.53 | 14300.0 | 2 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 4.41 | 4.41 | 39136.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 257.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 76.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 109.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 25.6 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 148.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 67.0 | mL.min-1.g-1 | Mus musculus |
| Cmax | 498.35 | nM | Rattus norvegicus |
| Cmax | 4800.0 | nM | Mus musculus |
| F | 23.6 | % | Rattus norvegicus |
| Fu | 0.051 | - | Mus musculus |
| Fu | 0.058 | - | Homo sapiens |
| Fu | 0.067 | - | Canis lupus familiaris |
| Fu | 0.033 | - | Rattus norvegicus |
| T1/2 | 0.53 | hr | Rattus norvegicus |
| Tmax | 0.33 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine