Molecule Details
| InChIKey | SETFNECMODOHTO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Indisulam |
| Canonical SMILES | NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.19 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06370 |
|---|---|
| Drug Name | Indisulam |
| CAS Number | 165668-41-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Antineoplastic Agents Carbonic Anhydrase Inhibitors Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Diuretics Enzyme Inhibitors Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 10890 ChEBI: 145431 CHEMBL77517 ChemSpider: 187608 PDB: EF6 PubChem:216468 Wikipedia: E7070 ZINC: ZINC000000600748
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | 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 |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| Q96SW2 | CRBN | Homo sapiens | Human | PF02190 PF03226 | 6.4 | IC50 | ChEMBL |
| P96878 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 PF00916 | 7.8 | Ki | ChEMBL;BindingDB | |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 7.3 | Ki | ChEMBL;BindingDB |
| Q6FTL6 | NCE103 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL |
| O24855 | cynT | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00484 | 6.4 | Ki | ChEMBL;BindingDB |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 6.0 | Ki | ChEMBL;BindingDB |