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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 2499 | 17784-12-2 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 49 | |||
| kinase-selectivity-class | ACVR2A,AURKA,AXL,CAMK2D,CDK16,CDK9,DDR1,DYRK1B,ERBB2,GRK2,JAK1,MAP2K6,MAP3K21,MAP4K1,MAPK7,MARK4,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 23 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 12, 1975 | FDA |
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| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Bacterial urinary infection | indication | 312124009 | |
| 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 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| 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 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.53 | acidic |
| pKa2 | 3.37 | Basic |
| pKa3 | 1.94 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase; Dihydropteroate synthetase | Kinase | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4019058 | VUID |
| N0000147326 | NUI |
| D02519 | KEGG_DRUG |
| 4019058 | VANDF |
| C0262960 | UMLSCUI |
| CHEBI:135230 | CHEBI |
| CHEMBL1201056 | ChEMBL_ID |
| DB01298 | DRUGBANK_ID |
| C100141 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5322 | PUBCHEM_CID |
| 2891 | INN_ID |
| T795873AJP | UNII |
| 78902 | RXNORM |
| 002834 | NDDF |
| 71138001 | SNOMEDCT_US |
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