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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 2511 | 651-06-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 76.45 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAPK7,MARK4,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK,TTK | 32 | |||
| kinase-selectivity-class | AURKA,AXL,DDR1,MAPK7,SIK2 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 1, 1966 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | J01ED04 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Long-acting sulfonamides |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D007917 | Leprostatic Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35816 | leprostatic drug |
| CHEBI has role | CHEBI:35846 | renal agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.04 | acidic |
| pKa2 | 2.22 | Basic |
| pKa3 | 1.59 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Dihydropteroate synthase | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| D02517 | KEGG_DRUG |
| CHEBI:53727 | CHEBI |
| CHEMBL1200359 | ChEMBL_ID |
| 1335 | INN_ID |
| DB06821 | DRUGBANK_ID |
| 3L179F09D6 | UNII |
| 002831 | NDDF |
| 16106007 | SNOMEDCT_US |
| C0038685 | UMLSCUI |
| D013417 | MESH_DESCRIPTOR_UI |
| 5326 | PUBCHEM_CID |
| 12641 | IUPHAR_LIGAND_ID |
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