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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 2502 | 57-68-1 |
| Dose | Unit | Route |
|---|---|---|
| 4 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 153.98 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 86.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.192 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 3.565 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 19.454 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.953 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 59.770 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 73.680 | % | High | 1 |
| herg | hERG pIC50 | 3.865 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.045 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.105 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 52.300 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAPK12,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 54 | |||
| kinase-selectivity-class | ACVR2A,AURKA,AXL,BRAF,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,FGFR1,GRK2,JAK1,MAP2K6,MAP4K1,MAPK7,MARK4,SIK2,SIK3,STK33,SYK,TEK,ULK1 | 22 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 9.057 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.162 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 61.970 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 6.668 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 68.530 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.984 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 93.750 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 31.270 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 676.083 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 16, 1949 | FDA | LEDERLE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01EB03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Short-acting sulfonamides |
| ATC | J01EE05 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Combinations of sulfonamides and trimethoprim, incl. derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:50502 | EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| CHEBI has role | CHEBI:50903 | carcinogenic agent |
| CHEBI has role | CHEBI:52214 | ligand |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
| CHEBI has role | CHEBI:88188 | drug allergen |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Third trimester pregnancy | contraindication | 41587001 | |
| Megaloblastic anemia due to folate deficiency | contraindication | 85649008 | DOID:14026 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Disease of blood AND/OR blood-forming organ | contraindication | 191124002 | DOID:74 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Porphyria | contraindication | 418470004 |
| Species | Use | Relation |
|---|---|---|
| Cattle | Bacterial pneumonia | Indication |
| Cattle | Respiratory disease complex caused by Pasteurella species | Indication |
| Cattle | Colibacillosis caused by Escherichia coli | Indication |
| Cattle | Necrotic pododermatitis (foot rot) caused by Fusobacterium necrophorum | Indication |
| Cattle | Diphtheria caused by Fusobacterium necrophorum | Indication |
| Cattle | Acute metritis caused by Streptococcus species | Indication |
| Cattle | Acute mastitis caused by Streptococcus species | Indication |
| Chickens | Infectious coryza caused by Avibacterium paragallinarium | Indication |
| Chickens | Coccidiosis cased by Eimeria tenella | Indication |
| Chickens | Pullorum disease caused by Salmonella Pullorum | Indication |
| Chickens | Coccidiosis cased by Eimeria necatrix | Indication |
| Chickens | Cholera caused by Pasteurella multocida | Indication |
| Swine | Colibacillosis caused by Escherichia coli | Indication |
| Swine | Bacterial pneumonia caused by Pasteurella multocida | Indication |
| Turkeys | Coccidiosis caused by Eimeria adenoeides | Indication |
| Turkeys | Coccidiosis caused by Eimeria adenoeides | Indication |
| Cattle | Bacterial pneumonia | Indication |
| Cattle | Bovine respiratory disease complex caused by Pasteurella species | Indication |
| Cattle | Colibacillosis caused by Escherichia coli | Indication |
| Cattle | Necrotic pododermatitis (foot rot) caused by Fusobacterium necrophorum | Indication |
| Cattle | Diphtheria caused by Fusobacterium necrophorum | Indication |
| Cattle | Acute metritis caused by Streptococcus species | Indication |
| Cattle | Acute mastitis caused by Streptococcus species | Indication |
| Chickens | Coryza caused by Avibacterium paragallinarum | Indication |
| Chickens | Coccidiosis caused by Eimeria tenella | Indication |
| Chickens | Coccidiosis caused by Eimeria necatrix | Indication |
| Chickens | Cholera caused by Pasteurella multocida | Indication |
| Chickens | Pullorum disease caused by Salmonella Pullorum | Indication |
| Swine | Colibacillosis caused by Escherichia coli | Indication |
| Swine | Bacterial pneumonia caused by Pasteurella species | Indication |
| Turkeys | Coccidiosis caused by Eimeria meleagrimitis | Indication |
| Turkeys | Coccidiosis caused by Eimeria adenoeides | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Sulmet Drinking Water Solution, 12.5% | Huvepharma EOOD | 1 |
| Sulmet Solution Injectable | Huvepharma EOOD | 1 |
| Aureomix S 40/40 Granular | Zoetis Inc. | 2 |
| Aureo S 700 Granular, Aureo S 700 | Zoetis Inc. | 2 |
| Tylan 5 Sulfa-G, Tylan 10 Sulfa-G, Tylan 20 Sulfa-G, Tylan 40 Sulfa-G | Elanco US Inc. | 2 |
| AUREOMIX S 700-A | Zoetis Inc. | 2 |
| AUREOMIX S 700-D | Zoetis Inc. | 2 |
| Aureomix S 700-G | Zoetis Inc. | 2 |
| Aureomix S 700-E | Zoetis Inc. | 2 |
| Aureomix 700-F | Zoetis Inc. | 2 |
| Aureomix S 700-C | Zoetis Inc. | 2 |
| AUREOMIX S 700-B | Zoetis Inc. | 2 |
| AUREOMIX S 700-H | Zoetis Inc. | 2 |
| Sulfamethazine Spanbolet II | Zoetis Inc. | 1 |
| Chloronex Sulmet | Huvepharma EOOD | 2 |
| Tylan 10 Sulfa-G, Tylan 40 Sulfa-G | Zoetis Inc. | 2 |
| PoultrySulfa | Huvepharma EOOD | 3 |
| Sustain III Bolus, Sustain III Calf Bolus | Bimeda Animal Health Limited | 1 |
| Sulmet Oblets | Huvepharma EOOD | 1 |
| Sulmet Soluble Powder | Huvepharma EOOD | 1 |
| Calfspan | Zoetis Inc. | 1 |
| Pennchlor S 40/40 | Pharmgate Inc. | 2 |
| Sulfamethazine Sustained Release Bolus | Huvepharma EOOD | 1 |
| Veta-Meth | Lloyd Inc. | 1 |
| Sulka-S Bolus | Zoetis Inc. | 1 |
| Aureo S 700 and Bovatec | Zoetis Inc. | 3 |
| Pennchlor S | Pharmgate Inc. | 2 |
| SMZ-Med 454 | Bimeda Animal Health Limited | 1 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.24 | acidic |
| pKa2 | 2.88 | Basic |
| pKa3 | 2.27 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | Enzyme | WOMBAT-PK | |||||||
| Dihydropteroate synthase | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4017499 | VUID |
| N0000145884 | NUI |
| D02436 | KEGG_DRUG |
| 4017499 | VANDF |
| C0038686 | UMLSCUI |
| CHEBI:102265 | CHEBI |
| CHEMBL446 | ChEMBL_ID |
| DB01582 | DRUGBANK_ID |
| 5327 | PUBCHEM_CID |
| 12642 | IUPHAR_LIGAND_ID |
| 1981-58-4 | SECONDARY_CAS_RN |
| 10178 | RXNORM |
| NOCODE | MMSL |
| 002817 | NDDF |
| 324417001 | SNOMEDCT_US |
| 40036000 | SNOMEDCT_US |
| D013418 | MESH_DESCRIPTOR_UI |
| 24540-76-9 | SECONDARY_CAS_RN |
| 1068 | INN_ID |
| 48U51W007F | UNII |
None