| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2049 | 150-13-0 |
None
None
None
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 |
|---|---|---|---|---|---|---|
| Appendicolith | 132.99 | 108.85 | 36 | 1333 | 8565 | 34946997 |
| Blood phosphorus increased | 132.05 | 108.85 | 35 | 1334 | 7686 | 34947876 |
| Appendicitis | 113.67 | 108.85 | 36 | 1333 | 14771 | 34940791 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 158.71 | 132.94 | 36 | 1492 | 8515 | 79734345 |
| Blood phosphorus increased | 146.67 | 132.94 | 35 | 1493 | 10312 | 79732548 |
None
| Source | Code | Description |
|---|---|---|
| ATC | D02BA01 | DERMATOLOGICALS EMOLLIENTS AND PROTECTIVES PROTECTIVES AGAINST UV-RADIATION Protectives against UV-radiation for topical use |
| ATC | D11AX23 | DERMATOLOGICALS OTHER DERMATOLOGICAL PREPARATIONS OTHER DERMATOLOGICAL PREPARATIONS Other dermatologicals |
| FDA CS | M0022792 | Vitamin B Complex |
| FDA EPC | N0000175714 | Vitamin B Complex Member |
| CHEBI has role | CHEBI:75772 | S. cerevisiae metabolites |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:76971 | Escherichia coli metabolites |
| CHEBI has role | CHEBI:50904 | alergeno |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Induratio penis plastica | indication | 1335005 | DOID:8616 |
| Pemphigus | indication | 65172003 | DOID:9182 |
| Systemic sclerosis | indication | 89155008 | DOID:418 |
| Morphea | indication | 201049004 | |
| Dermatomyositis | indication | 396230008 | DOID:10223 |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.65 | acidic |
| pKa2 | 2.29 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Enzyme | Ki | 5.09 | CHEMBL | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 5.08 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 7.45 | CHEMBL | |||||
| Polyphenol oxidase 2 | Enzyme | IC50 | 5.42 | CHEMBL | |||||
| Dihydropteroate synthase | Enzyme | Kd | 5.25 | CHEMBL |
| ID | Source |
|---|---|
| 4019089 | VUID |
| N0000147349 | NUI |
| D02456 | KEGG_DRUG |
| 138-84-1 | SECONDARY_CAS_RN |
| 4018418 | VANDF |
| 4019089 | VANDF |
| C0000473 | UMLSCUI |
| CHEBI:22495 | CHEBI |
| PAB | PDB_CHEM_ID |
| CHEMBL542 | ChEMBL_ID |
| CHEMBL1564391 | ChEMBL_ID |
| DB02362 | DRUGBANK_ID |
| TL2TJE8QTX | UNII |
| 978 | PUBCHEM_CID |
| 142141 | RXNORM |
| 41627 | MMSL |
| 5231 | MMSL |
| 5335 | MMSL |
| 5490 | MMSL |
| NOCODE | MMSL |
| d00331 | MMSL |
| d04184 | MMSL |
| 001006 | NDDF |
| 001007 | NDDF |
| 001966 | NDDF |
| 002325 | NDDF |
| 002326 | NDDF |
| 002338 | NDDF |
| 329290002 | SNOMEDCT_US |
| 373489001 | SNOMEDCT_US |
| 395838004 | SNOMEDCT_US |
| 39707000 | SNOMEDCT_US |
| D010129 | MESH_DESCRIPTOR_UI |
None