Molecule Details
| InChIKey | BYVXAUZOTGITQZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | [2-(3-Dibenzofuran-4-YL-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid |
| Canonical SMILES | O=P(O)(O)C(O)(Cc1cccc(-c2cccc3c2oc2ccccc23)c1)P(=O)(O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.8 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07410 |
|---|---|
| Drug Name | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 25288 CHEMBL411274 ChemSpider: 17279472 PDB: B29 PubChem:16122553 PubChem:99443881 ZINC: ZINC000016051958
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95749 | GGPS1 | Homo sapiens | Human | PF00348 | 7.0 | Ki | ChEMBL;BindingDB |
| Q12051 | BTS1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00348 | 6.8 | IC50 | ChEMBL;BindingDB |
| P9WJ60 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | — | 6.7 | IC50 | BindingDB |