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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antivirals | 4887 | 259793-96-9 |
| Dose | Unit | Route |
|---|---|---|
| 1.60 | g | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 12 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CSF1R,DDR1,DYRK1A,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK1,MAP3K10,MAP3K21,MAP4K1,MAP4K3,MAPK7,NTRK1,PDK1,PDK2,PIK3CA,PIK3CD,PIK3CG,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,ULK1 | 41 | |||
| kinase-selectivity-class | ACVR2B,CDK9,GRK2,GSK3A,GSK3B,MAP2K3,SIK2 | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 24, 2014 | PMDA | Toyama Chemical Co., Ltd. |
| 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 |
|---|---|---|---|---|---|---|
| Off label use | 375.88 | 105.00 | 147 | 282 | 1102105 | 89525913 |
| 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 |
|---|---|---|---|---|---|---|
| Off label use | 804.92 | 80.15 | 349 | 712 | 637986 | 41982288 |
| Intentional product use issue | 80.56 | 80.15 | 38 | 1023 | 71795 | 42548479 |
| 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 |
|---|---|---|---|---|---|---|
| Off label use | 1156.01 | 84.77 | 496 | 1108 | 1499689 | 109088006 |
| Drug ineffective for unapproved indication | 106.97 | 84.77 | 44 | 1560 | 102794 | 110484901 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J05AX27 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Other antivirals |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000998 | Antiviral Agents |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:36044 | antiviral drug |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
| CHEBI has role | CHEBI:170010 | EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Influenza | indication | 6142004 | DOID:8469 |
| Influenza caused by pandemic influenza virus | indication | 719865001 | |
| Coronavirus infection | off-label use | 186747009 | |
| Pregnancy, function | contraindication | 289908002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.57 | acidic |
| pKa2 | 11.39 | acidic |
| pKa3 | 1.24 | Basic |
None
None
None
| ID | Source |
|---|---|
| EW5GL2X7E0 | UNII |
| D09537 | KEGG_DRUG |
| C1138226 | UMLSCUI |
| CHEBI:134722 | CHEBI |
| CHEMBL221722 | ChEMBL_ID |
| 492405 | PUBCHEM_CID |
| DB12466 | DRUGBANK_ID |
| 8916 | INN_ID |
| C462182 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11139 | IUPHAR_LIGAND_ID |
| 018626 | NDDF |
| 1163580005 | SNOMEDCT_US |
| 1172871009 | SNOMEDCT_US |
None