Molecule Details
| InChIKey | DYEFUKCXAQOFHX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ebselen |
| Canonical SMILES | O=c1c2ccccc2[se]n1-c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 31 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.62 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12610 |
|---|---|
| Drug Name | Ebselen |
| CAS Number | 60940-34-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ebselen has been investigated for the treatment and basic science of Meniere's Disease, Type 2 Diabetes Mellitus, and Type 1 Diabetes Mellitus. |
Categories: Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Ulcer Agents Antioxidants Antirheumatic Agents Biological Factors Central Nervous System Agents Compounds used in a research, industrial, or household setting Cyclooxygenase Inhibitors Enzyme Inhibitors Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Neuroprotective Agents Peripheral Nervous System Agents Protective Agents Selenium Compounds Sensory System Agents
Cross-references: BindingDB: 34233 ChEBI: 77543 CHEMBL51085 ChemSpider: 3082 PubChem:3194 PubChem:347828824 Wikipedia: Ebselen
Target Activities (31)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14376 | GALE | Homo sapiens | Human | PF16363 | 7.8 | IC50 | ChEMBL;BindingDB |
| P14735 | IDE | Homo sapiens | Human | PF00675 PF05193 PF16187 PF22456 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.1 | Ki | ChEMBL |
| P14902 | IDO1 | Homo sapiens | Human | PF01231 | 7.0 | Ki | ChEMBL;BindingDB |
| Q8TCT1 | PHOSPHO1 | Homo sapiens | Human | PF06888 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9Y4P1 | ATG4B | Homo sapiens | Human | PF20166 PF03416 | 6.8 | IC50 | ChEMBL |
| P34949 | MPI | Homo sapiens | Human | PF01238 PF20511 PF20512 | 6.7 | IC50 | ChEMBL;BindingDB |
| P04839 | CYBB | Homo sapiens | Human | PF08022 PF01794 PF08030 | 6.5 | IC50 | ChEMBL |
| P34913 | EPHX2 | Homo sapiens | Human | PF00561 PF00702 | 6.5 | IC50 | ChEMBL;BindingDB |
| P14598 | NCF1 | Homo sapiens | Human | PF16621 PF08944 PF00787 PF00018 | 6.4 | IC50 | BindingDB |
| Q96KQ7 | EHMT2 | Homo sapiens | Human | PF00023 PF12796 PF21533 PF05033 PF00856 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9Y5S8 | NOX1 | Homo sapiens | Human | PF08022 PF01794 PF08030 | 6.3 | IC50 | ChEMBL |
| P14174 | MIF | Homo sapiens | Human | PF01187 | 6.2 | Ki | ChEMBL;BindingDB |
| O15305 | PMM2 | Homo sapiens | Human | PF03332 | 6.2 | IC50 | ChEMBL;BindingDB |
| O75936 | BBOX1 | Homo sapiens | Human | PF06155 PF02668 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9H9B1 | EHMT1 | Homo sapiens | Human | PF12796 PF13637 PF21533 PF05033 PF00856 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18177 | tcdB | Clostridioides difficile | Pathogen | PF01473 PF19127 PF11713 PF12919 PF12920 PF12918 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q76129 | gag | Human immunodeficiency virus type 1 | Pathogen | PF00540 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q4QLK7 | murA | Haemophilus influenzae (strain 86-028NP) | Pathogen | PF00275 | 7.0 | IC50 | BindingDB |
| P14916 | ureA | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00699 PF00547 | 6.7 | Ki | ChEMBL |
| P69996 | ureB | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF01979 PF00449 | 6.7 | Ki | ChEMBL;BindingDB |
| P0A9P4 | trxB | Escherichia coli (strain K12) | Pathogen | PF07992 | 6.5 | Ki | ChEMBL;BindingDB |
| I6Y9J2 | ldtB | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF17964 PF03734 | 6.4 | IC50 | ChEMBL |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 6.4 | Ki | ChEMBL |
| A0A0H2ZQX9 | mvk | Streptococcus pneumoniae serotype 2 (strain D39 / NCTC 7466) | Pathogen | PF08544 PF00288 | 6.4 | IC50 | BindingDB |
| P9WIL5 | panC | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF02569 | 6.3 | IC50 | BindingDB |
| A0A0H2ZN59 | mvaD | Streptococcus pneumoniae serotype 2 (strain D39 / NCTC 7466) | Pathogen | PF18376 PF22700 | 6.3 | IC50 | BindingDB |
| P87108 | TIM10 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF02953 | 6.2 | IC50 | ChEMBL |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.2 | IC50 | ChEMBL;BindingDB |
| P32897 | TIM23 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF02466 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q38C41 | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Pathogen | PF00349 PF03727 | 6.0 | IC50 | BindingDB |