Molecule Details
| InChIKey | LJODJUIHONTDMR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Docirbrutinib |
| Canonical SMILES | Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCN(C4COC4)CC3)[nH]c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21606 |
|---|---|
| Drug Name | Docirbrutinib |
| CAS Number | 2227211-00-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Docirbrutinib is a small molecule drug. The usage of the INN stem '-brutinib' in the name indicates that Docirbrutinib is a agammaglobulinaemia tyrosine kinase (Bruton tyrosine kinase) inhibitor. Docirbrutinib is under investigation in clinical trial NCT05602363 (AS-1763 in Patients With Previously ... |
Cross-references: BindingDB: 465748 CHEMBL5077961
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.9 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL;BindingDB |
| O15146 | MUSK | Homo sapiens | Human | PF01392 PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |