Molecule Details
| InChIKey | RFTSSZJZXOSICM-GRSHGNNSSA-N |
|---|---|
| Canonical SMILES | COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12191 |
|---|---|
| Drug Name | Obatoclax |
| CAS Number | 803712-67-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Obatoclax has been used in trials studying the treatment of AML, Leukemia, Myelofibrosis, Hodgkin's Lymphoma, and Mantle-Cell Lymphoma, among others. |
Categories: Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50376902 CHEMBL408194 ChemSpider: 21430401 PubChem:11404337 PubChem:347828476 Wikipedia: Obatoclax ZINC: ZINC000029052268
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 6.0 | Ki | ChEMBL;BindingDB |
| Q16548 | BCL2A1 | Homo sapiens | Human | PF00452 | 6.0 | Ki | ChEMBL;BindingDB |
| Q92843 | BCL2L2 | Homo sapiens | Human | PF00452 PF02180 | 6.0 | Ki | ChEMBL;BindingDB |
| Q92934 | BAD | Homo sapiens | Human | PF10514 | 6.0 | Ki | ChEMBL;BindingDB |
| Q9HD36 | BCL2L10 | Homo sapiens | Human | PF00452 | 6.0 | Ki | ChEMBL;BindingDB |