Molecule Details
| InChIKey | RNOAOAWBMHREKO-QFIPXVFZSA-N |
|---|---|
| Compound Name | Zanubrutinib |
| Canonical SMILES | C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15035 |
|---|---|
| Drug Name | Zanubrutinib |
| CAS Number | 1691249-45-2 |
| Groups | approved investigational |
| ATC Codes | L01EL03 |
| Description | Zanubrutinib is a novel Bruton's tyrosine kinase (BTK) inhibitor used for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.[L10163] Mantle cell lymphoma is an aggressive mature B-cell non-Hodgkin lymphoma associated with early relapse, poor... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Bruton's Tyrosine Kinase Inhibitors Bruton's tyrosine kinase (BTK) inhibitors Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Enzyme Inhibitors Hematologic Agents Kinase Inhibitor Narrow Therapeutic Index Drugs P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Protein Kinase Inhibitors Teratogens Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 250082 CHEMBL3936761 ChemSpider: 64835237 Drugs Product Database (DPD): 23569 RxCUI: 2262435 Wikipedia: Zanubrutinib ZINC: ZINC000584641430
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.7 | IC50 | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.5 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 8.3 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.0 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9HCN6 | GP6 | Homo sapiens | Human | PF13895 PF13927 | 6.3 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (18)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |
| P00533 | EGFR | Epidermal growth factor receptor | inhibitor | targets |
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | targets |
| P06239 | LCK | Tyrosine-protein kinase Lck | inhibitor | targets |
| P09769 | FGR | Tyrosine-protein kinase Fgr | inhibitor | targets |
| P42680 | TEC | Tyrosine-protein kinase Tec | inhibitor | targets |
| P42681 | TXK | Tyrosine-protein kinase TXK | inhibitor | targets |
| P42685 | FRK | Tyrosine-protein kinase FRK | inhibitor | targets |
| P51451 | BLK | Tyrosine-protein kinase Blk | inhibitor | targets |
| P51813 | BMX | Cytoplasmic tyrosine-protein kinase BMX | inhibitor | targets |
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | inhibitor | targets |
| Q06187 | BTK | Tyrosine-protein kinase BTK | inhibitor | targets |
| Q08881 | ITK | Tyrosine-protein kinase ITK/TSK | inhibitor | targets |
| Q13882 | PTK6 | Protein-tyrosine kinase 6 | inhibitor | targets |
| Q15303 | ERBB4 | Receptor tyrosine-protein kinase erbB-4 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |