Molecule Details
| InChIKey | BIASYWBGUYOWJR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Emd 486019 |
| Canonical SMILES | NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06954 |
|---|---|
| Drug Name | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 25896 CHEMBL476937 ChemSpider: 9420735 PDB: 2C7 PubChem:11245700 PubChem:99443425 ZINC: ZINC000039123364
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.9 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.9 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00918 | CA2 | Carbonic anhydrase 2 | binder | targets |