Molecule Details
| InChIKey | QUIWHXQETADMGN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Evobrutinib |
| Canonical SMILES | C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15170 |
|---|---|
| Drug Name | Evobrutinib |
| CAS Number | 1415823-73-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Evobrutinib is under investigation in clinical trial NCT03934502 (Effect of Meal Composition and Timing on Evobrutinib Bioavailability). |
Cross-references: BindingDB: 291522 CHEMBL4072833 ChemSpider: 58827807 PDB: MZJ ZINC: ZINC000205623965
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q06187 | BTK | Tyrosine-protein kinase BTK | inhibitor | targets |