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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 2510 | 127-79-7 |
| Dose | Unit | Route |
|---|---|---|
| 3 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 81 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.710 | Moderate | 0.69 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.778 | Moderate | 0.69 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 12.445 | 10^-6 cm/s | Moderate | 0.69 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.259 | uL/min/10^6 cells | Moderate | 0.69 |
| dppb | Dog plasma protein binding (% unbound) | 65.890 | % | Moderate | 0.69 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 79.140 | % | Moderate | 0.69 |
| herg | hERG pIC50 | 3.809 | pIC50 | Moderate | 0.69 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.607 | uL/min/10^6 cells | Moderate | 0.69 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.177 | uL/min/mg protein | Moderate | 0.69 |
| hppb | Human plasma protein binding (% unbound) | 57.090 | % | Moderate | 0.69 |
| 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,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAPK12,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 52 | |||
| kinase-selectivity-class | ACVR2A,AURKA,AXL,CDK9,DDR1,DYRK1B,ERBB2,GRK2,MAP2K6,MAPK7,MARK4,SIK2,SIK3,STK33,TEK,ULK1 | 16 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.837 | Moderate | 0.69 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.649 | Moderate | 0.69 | |
| mppb | Mouse plasma protein binding (% unbound) | 75.720 | Moderate | 0.69 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.944 | Moderate | 0.69 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 81.290 | % | Moderate | 0.69 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.851 | uL/min/10^6 cells | Moderate | 0.69 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.950 | % | Moderate | 0.69 |
| rppb | Rat plasma protein binding (% unbound) | 42.180 | % | Moderate | 0.69 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 974.990 | uM | Moderate | 0.69 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 16, 1949 | FDA | LEDERLE |
None
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| Source | Code | Description |
|---|---|---|
| ATC | D06BA06 | DERMATOLOGICALS ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE CHEMOTHERAPEUTICS FOR TOPICAL USE Sulfonamides |
| ATC | J01ED07 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Long-acting sulfonamides |
| ATC | J01EE07 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Combinations of sulfonamides and trimethoprim, incl. derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| 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 |
|---|---|---|
| Chickens | Coccidiosis caused by Eimeria tenella | Indication |
| Chickens | Coccidiosis caused by Eimeria necatrix | Indication |
| Chickens | Cholera caused by Pasteurella multocida | Indication |
| Fish - Trout | Control of furunculosis | Indication |
| Turkeys | Cholera caused by Pasteurella multocida | Indication |
| Turkeys | Coccidiosis caused by Eimeria meleagrimitis | Indication |
| Turkeys | Coccidiosis caused by Eimeria adenoeides | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| SULFAMERAZINE FISH GRADE | Zoetis Inc. | 1 |
| PoultrySulfa | Huvepharma EOOD | 3 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.92 | acidic |
| pKa2 | 2.56 | Basic |
| pKa3 | 1.95 | Basic |
None
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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 |
|---|---|
| 4017498 | VUID |
| N0000145883 | NUI |
| D02435 | KEGG_DRUG |
| 4017498 | VANDF |
| C0038684 | UMLSCUI |
| CHEBI:102130 | CHEBI |
| CHEMBL438 | ChEMBL_ID |
| DB01581 | DRUGBANK_ID |
| D013416 | MESH_DESCRIPTOR_UI |
| 5325 | PUBCHEM_CID |
| 12640 | IUPHAR_LIGAND_ID |
| 424 | INN_ID |
| UR1SAB295F | UNII |
| 10176 | RXNORM |
| 002816 | NDDF |
| 5767002 | SNOMEDCT_US |
None