Molecule Details
| InChIKey | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.56 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00250 |
|---|---|
| Drug Name | Dapsone |
| CAS Number | 80-08-0 |
| Groups | approved investigational |
| ATC Codes | J04BA50 J04BA51 D10AX05 J04BA02 |
| Description | A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine i... |
Categories: Anti-Acne Preparations Anti-Acne Preparations for Topical Use Anti-Bacterial Agents Anti-Infective Agents Antibiotics for Pneumocystis Pneumonia Antiinfectives for Systemic Use Antimalarials Antimycobacterials Antiparasitic Agents Antiprotozoals Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Dermatologicals Drugs causing inadvertant photosensitivity Drugs for Treatment of Lepra Enzyme Inhibitors Folic Acid Antagonists Leprostatic Agents Methemoglobinemia Associated Agents Miscellaneous Antimycobacterials Miscellaneous Local Anti-infectives Photosensitizing Agents Sulfones Sulfur Compounds
Cross-references: BindingDB: 50029764 ChEBI: 4325 CHEMBL1043 ChemSpider: 2849 Drugs Product Database (DPD): 8120 C07666 D00592 PharmGKB: PA449211 PubChem:2955 PubChem:46505300 RxCUI: 3108 Therapeutic Targets Database: DAP000637 Wikipedia: Dapsone ZINC: ZINC000000006310
Target Activities (2)
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P05164 | MPO | Myeloperoxidase | substrate | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11245 | P11245 | Arylamine N-acetyltransferase 2 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P31513 | P31513 | Flavin-containing monooxygenase 3 | substrate | enzymes |
| P33260 | CYP2C18 | Cytochrome P450 2C18 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | substrate | enzymes |
| P0C0X1 | P0C0X1 | Dihydropteroate synthase | inhibitor | targets |
| P0C0X2 | P0C0X2 | Inactive dihydropteroate synthase 2 | inhibitor | targets |