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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, kanamycin and bekanamycin derivatives (obtained from Streptomyces kanamyceticus) | 235 | 51025-85-5 |
| Molecule | Description |
|---|---|
|
Synonyms:
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|
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.21 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.28 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.46 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 41 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,BRAF,CAMK2D,CDK4,CDK5,EIF2AK3,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK1,NTRK2,PDK2,PDK4,PRKDC,TEK,TGFBR1 | 18 | |||
| kinase-selectivity-class | CHUK,MAP2K6,PDK1 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.79 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Drug reaction with eosinophilia and systemic symptoms | 18.82 | 17.88 | 3 | 3 | 42755 | 90585686 |
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01GB12 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE AMINOGLYCOSIDE ANTIBACTERIALS Other aminoglycosides |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:48001 | protein synthesis inhibitor |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.04 | acidic |
| pKa2 | 12.98 | acidic |
| pKa3 | 13.55 | acidic |
| pKa4 | 13.58 | acidic |
| pKa5 | 9.4 | Basic |
| pKa6 | 8.7 | Basic |
| pKa7 | 7.75 | Basic |
| pKa8 | 7.15 | Basic |
| pKa9 | 6.49 | Basic |
None
None
None
| ID | Source |
|---|---|
| D07462 | KEGG_DRUG |
| 26397 | RXNORM |
| C1148057 | UMLSCUI |
| CHEBI:37922 | CHEBI |
| 84G | PDB_CHEM_ID |
| CHEMBL426926 | ChEMBL_ID |
| DB06696 | DRUGBANK_ID |
| C031986 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7345 | IUPHAR_LIGAND_ID |
| 5914 | INN_ID |
| G7V6SLI20L | UNII |
| 68682 | PUBCHEM_CID |
| 007488 | NDDF |
| 725569009 | SNOMEDCT_US |
None