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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 5-nitrofuran derivatives | 1256 | 139-91-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 41 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,GRK2,GSK3B,IRAK1,MAP2K6,MAP3K21,MAPK7,MARK4,PRKDC,SIK2,STK33,SYK,TEK,TTK | 19 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.83 | Basic |
| pKa2 | 3.34 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | Kinase | IC50 | 4.87 | CHEMBL |
| ID | Source |
|---|---|
| D02510 | KEGG_DRUG |
| C0060849 | UMLSCUI |
| CHEBI:74803 | CHEBI |
| CHEMBL1189513 | ChEMBL_ID |
| DB16567 | DRUGBANK_ID |
| 9553856 | PUBCHEM_CID |
| 13898 | IUPHAR_LIGAND_ID |
| 811 | INN_ID |
| 5X4V82ZN30 | UNII |
| 002856 | NDDF |
| 3759-92-0 | SECONDARY_CAS_RN |
| C007795 | MESH_SUPPLEMENTAL_RECORD_UI |
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