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| Stem definition | Drug id | CAS RN |
|---|---|---|
| ribofuranyl-derivatives of the "pyrazofurin" type | 3363 | 50924-49-7 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 51 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 40 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PRKDC,TEK | 21 | |||
| kinase-selectivity-class | GRK2,MAP2K6 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Osteonecrosis | 47.94 | 32.24 | 17 | 1308 | 26224 | 90600898 |
| Pharyngitis | 39.25 | 32.24 | 14 | 1311 | 21933 | 90605189 |
| Hyperuricaemia | 36.37 | 32.24 | 10 | 1315 | 6709 | 90620413 |
| Hyperlipidaemia | 34.96 | 32.24 | 13 | 1312 | 22903 | 90604219 |
| Iron deficiency anaemia | 34.55 | 32.24 | 13 | 1312 | 23649 | 90603473 |
| 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 |
|---|---|---|---|---|---|---|
| Hypogammaglobulinaemia | 49.66 | 42.74 | 15 | 724 | 11876 | 42608720 |
| 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 |
|---|---|---|---|---|---|---|
| Hypogammaglobulinaemia | 49.97 | 27.32 | 18 | 2316 | 20058 | 110566907 |
| Cytomegalovirus infection | 41.25 | 27.32 | 21 | 2313 | 54423 | 110532542 |
| Osteonecrosis | 40.91 | 27.32 | 18 | 2316 | 33723 | 110553242 |
| Pharyngitis | 39.11 | 27.32 | 16 | 2318 | 25082 | 110561883 |
| N-telopeptide urine increased | 37.63 | 27.32 | 5 | 2329 | 42 | 110586923 |
| Kidney transplant rejection | 34.59 | 27.32 | 12 | 2322 | 11975 | 110574990 |
| Diabetes mellitus | 34.27 | 27.32 | 23 | 2311 | 99358 | 110487607 |
| Hyperlipidaemia | 33.63 | 27.32 | 16 | 2318 | 35832 | 110551133 |
| Iron deficiency anaemia | 32.43 | 27.32 | 15 | 2319 | 31544 | 110555421 |
| Hyperuricaemia | 32.34 | 27.32 | 12 | 2322 | 14519 | 110572446 |
| Upper respiratory tract inflammation | 32.33 | 27.32 | 9 | 2325 | 4362 | 110582603 |
| Nephrogenic anaemia | 31.92 | 27.32 | 9 | 2325 | 4568 | 110582397 |
| Varicella zoster virus infection | 28.99 | 27.32 | 9 | 2325 | 6359 | 110580606 |
| Disseminated intravascular coagulation | 28.60 | 27.32 | 15 | 2319 | 41271 | 110545694 |
| Off label use | 28.25 | 27.32 | 82 | 2252 | 1500103 | 109086862 |
| Diffuse large B-cell lymphoma | 27.75 | 27.32 | 11 | 2323 | 15887 | 110571078 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000903 | Antibiotics, Antineoplastic |
| MeSH PA | D000962 | Antimalarials |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D000977 | Antiparasitic Agents |
| MeSH PA | D000981 | Antiprotozoal Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D007155 | Immunologic Factors |
| MeSH PA | D007166 | Immunosuppressive Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.79 | acidic |
| pKa2 | 11.55 | acidic |
| pKa3 | 11.83 | acidic |
| pKa4 | 12.51 | acidic |
| pKa5 | 13.19 | acidic |
| pKa6 | 3.13 | Basic |
None
None
None
| ID | Source |
|---|---|
| D01392 | KEGG_DRUG |
| C0128608 | UMLSCUI |
| CHEBI:31858 | CHEBI |
| MZR | PDB_CHEM_ID |
| CHEMBL245019 | ChEMBL_ID |
| DB12617 | DRUGBANK_ID |
| C010052 | MESH_SUPPLEMENTAL_RECORD_UI |
| 104762 | PUBCHEM_CID |
| 5120 | INN_ID |
| 4JR41A10VP | UNII |
| 772627008 | SNOMEDCT_US |
| 4JR41A10VP | INXIGHT DRUGS |
None