Molecule Details
| InChIKey | JLYAXFNOILIKPP-KXQOOQHDSA-N |
|---|---|
| Compound Name | Abt 263 |
| Canonical SMILES | CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.23 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12340 |
|---|---|
| Drug Name | Navitoclax |
| CAS Number | 923564-51-6 |
| Groups | investigational |
| ATC Codes | L01XX78 |
| Description | Navitoclax has been used in trials studying the treatment and basic science of Solid Tumors, Non-Hodgkin's Lymphoma, EGFR Activating Mutation, Chronic Lymphoid Leukemia, and Hematological Malignancies, among others. Navitoclax is an orally bioavailable small molecule inhibitor of Bcl-2 family protei... |
Categories: Amides Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Sulfones Sulfur Compounds
Cross-references: BindingDB: 50270877 ChEBI: 131174 CHEMBL443684 ChemSpider: 21864722 PDB: 1XJ PubChem:24978538 PubChem:347828599 Wikipedia: Navitoclax ZINC: ZINC000150338726
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43521 | BCL2L11 | Homo sapiens | Human | PF08945 PF06773 | 8.4 | IC50 | ChEMBL |
| P10415 | BCL2 | Homo sapiens | Human | PF00452 PF02180 | 8.0 | Kd | ChEMBL;BindingDB |
| Q07817 | BCL2L1 | Homo sapiens | Human | PF00452 PF02180 | 7.4 | Ki | ChEMBL;BindingDB |
| Q92934 | BAD | Homo sapiens | Human | PF10514 | 7.3 | Kd | ChEMBL;BindingDB |
| Q92843 | BCL2L2 | Homo sapiens | Human | PF00452 PF02180 | 7.2 | Ki | ChEMBL;BindingDB |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 6.3 | Ki | ChEMBL;BindingDB |
| Q12797 | ASPH | Homo sapiens | Human | PF05279 PF05118 PF13432 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q92934 | BAD | Bcl2-associated agonist of cell death | binder | targets |
| P10415 | BCL2 | Apoptosis regulator Bcl-2 | inhibitor | targets |
| P24385 | CCND1 | G1/S-specific cyclin-D1 | inhibitor | targets |
| Q07817 | BCL2L1 | Bcl-2-like protein 1 | inhibitor | targets |
| Q92843 | BCL2L2 | Bcl-2-like protein 2 | inhibitor | targets |