| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1535 | 63-42-3 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 195 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
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 |
|---|---|---|---|---|---|---|
| Allergic reaction to excipient | 125.53 | 26.74 | 19 | 1599 | 354 | 63487050 |
| Drug hypersensitivity | 70.28 | 26.74 | 60 | 1558 | 310627 | 63176777 |
| Allergy to metals | 52.85 | 26.74 | 10 | 1608 | 725 | 63486679 |
| Iodine allergy | 51.96 | 26.74 | 10 | 1608 | 794 | 63486610 |
| Oesophagitis | 51.81 | 26.74 | 18 | 1600 | 14990 | 63472414 |
| Eye oedema | 45.61 | 26.74 | 10 | 1608 | 1510 | 63485894 |
| Rubber sensitivity | 41.35 | 26.74 | 10 | 1608 | 2321 | 63485083 |
| Angioedema | 29.05 | 26.74 | 17 | 1601 | 47948 | 63439456 |
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 |
|---|---|---|---|---|---|---|
| Allergic reaction to excipient | 130.33 | 23.53 | 19 | 1653 | 333 | 79742383 |
| Drug hypersensitivity | 48.45 | 23.53 | 44 | 1628 | 298872 | 79443844 |
| Eye oedema | 44.51 | 23.53 | 10 | 1662 | 2053 | 79740663 |
| Oesophagitis | 32.96 | 23.53 | 14 | 1658 | 24275 | 79718441 |
| Angioedema | 24.90 | 23.53 | 17 | 1655 | 76018 | 79666698 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D005421 | Flavoring Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D013549 | Sweetening Agents |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Lactose intolerance | indication | 267425008 | |
| Indigestion | off-label use | 162031009 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.33 | acidic |
| pKa2 | 13.14 | acidic |
| pKa3 | 13.68 | acidic |
| pKa4 | 13.99 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Galectin-8 | Unclassified | Kd | 4.21 | CHEMBL | |||||
| Galectin-9 | Unclassified | Kd | 4.64 | CHEMBL | |||||
| Galectin-3 | Unclassified | Kd | 4.03 | CHEMBL |
| ID | Source |
|---|---|
| 4018071 | VUID |
| N0000023146 | NUI |
| D00046 | KEGG_DRUG |
| 4017823 | VANDF |
| 4018071 | VANDF |
| C0022949 | UMLSCUI |
| CHEBI:36219 | CHEBI |
| LBT | PDB_CHEM_ID |
| CHEMBL417016 | ChEMBL_ID |
| CHEMBL2106323 | ChEMBL_ID |
| DB04465 | DRUGBANK_ID |
| D007785 | MESH_DESCRIPTOR_UI |
| 6134 | PUBCHEM_CID |
| 1307662 | RXNORM |
| NOCODE | MMSL |
| 002432 | NDDF |
| 423291009 | SNOMEDCT_US |
| 47703008 | SNOMEDCT_US |
| 3SY5LH9PMK | UNII |
None