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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 5-nitrofuran derivatives | 1931 | 39978-42-2 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 68 | |||
| kinase-selectivity-class | AURKB,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,DYRK3,GRK2,GSK3A,GSK3B,HIPK2,IRAK1,JAK2,MAP2K3,MAP2K6,MAP3K14,MAP3K7,MAPK1,MAPK12,MAPK7,MAPK8,MARK4,MET,PDPK1,PIM3,PRKDC,RIPK1,SIK2,STK33,SYK,TEK,TTK,UHMK1,ULK1 | 35 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | A07AX04 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Other intestinal antiinfectives |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.52 | acidic |
| pKa2 | 2.76 | Basic |
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| ID | Source |
|---|---|
| D07251 | KEGG_DRUG |
| C0068746 | UMLSCUI |
| CHEBI:135428 | CHEBI |
| CHEMBL2106530 | ChEMBL_ID |
| DB13325 | DRUGBANK_ID |
| C029924 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9571044 | PUBCHEM_CID |
| 12365 | IUPHAR_LIGAND_ID |
| 4127 | INN_ID |
| Z35R6K4C26 | UNII |
| 31786 | RXNORM |
| 005282 | NDDF |
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