| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2414 | 29908-03-0 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 62.74 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 5 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
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 |
|---|---|---|---|---|---|---|
| Confabulation | 119.28 | 41.81 | 16 | 668 | 304 | 63488034 |
| Serotonin syndrome | 76.82 | 41.81 | 23 | 661 | 28659 | 63459679 |
| Nystagmus | 71.86 | 41.81 | 16 | 668 | 6204 | 63482134 |
| Drug interaction | 61.07 | 41.81 | 35 | 649 | 229096 | 63259242 |
| Right aortic arch | 56.22 | 41.81 | 8 | 676 | 236 | 63488102 |
| Rhabdomyolysis | 55.62 | 41.81 | 20 | 664 | 43931 | 63444407 |
| Congenital arterial malformation | 53.63 | 41.81 | 8 | 676 | 329 | 63488009 |
| Dyskinesia | 45.93 | 41.81 | 16 | 668 | 31986 | 63456352 |
| Mechanical urticaria | 43.57 | 41.81 | 7 | 677 | 469 | 63487869 |
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 |
|---|---|---|---|---|---|---|
| Confabulation | 113.35 | 33.74 | 16 | 782 | 482 | 79743108 |
| Serotonin syndrome | 68.23 | 33.74 | 23 | 775 | 45004 | 79698586 |
| Nystagmus | 65.61 | 33.74 | 16 | 782 | 9888 | 79733702 |
| Rhabdomyolysis | 46.62 | 33.74 | 22 | 776 | 103109 | 79640481 |
| Drug interaction | 42.20 | 33.74 | 34 | 764 | 415149 | 79328441 |
| Dyskinesia | 41.81 | 33.74 | 16 | 782 | 44757 | 79698833 |
| Mechanical urticaria | 37.34 | 33.74 | 6 | 792 | 433 | 79743157 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A16AA02 | ALIMENTARY TRACT AND METABOLISM OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS Amino acids and derivatives |
| CHEBI has role | CHEBI:23354 | coenzymes |
| CHEBI has role | CHEBI:23357 | cofactor |
| CHEBI has role | CHEBI:27027 | trace elements |
| CHEBI has role | CHEBI:50733 | Dietary Supplement |
| CHEBI has role | CHEBI:75772 | S. cerevisiae metabolites |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
| CHEBI has role | CHEBI:131604 | Mycoplasma genitalium metabolites |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hyperlipidemia | contraindication | 55822004 | DOID:1168 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.53 | acidic |
| pKa2 | 12.47 | acidic |
| pKa3 | 9.91 | Basic |
| pKa4 | 3.95 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Phenylethanolamine N-methyltransferase | Enzyme | Kd | 5.32 | CHEMBL | |||||
| Protein-beta-aspartate methyltransferase | Enzyme | Ki | 4.32 | CHEMBL | |||||
| S-adenosylmethionine decarboxylase proenzyme | Enzyme | Ki | 4.22 | CHEMBL | |||||
| Met repressor | Unclassified | Kd | 8.40 | CHEMBL |
| ID | Source |
|---|---|
| 4021429 | VUID |
| N0000148840 | NUI |
| D07128 | KEGG_DRUG |
| 4021429 | VANDF |
| C0036002 | UMLSCUI |
| CHEBI:15414 | CHEBI |
| SAM | PDB_CHEM_ID |
| CHEMBL1088977 | ChEMBL_ID |
| DB00118 | DRUGBANK_ID |
| C011501 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4786 | IUPHAR_LIGAND_ID |
| 5479 | INN_ID |
| 7LP2MPO46S | UNII |
| 34755 | PUBCHEM_CID |
| 9504 | RXNORM |
| 27892 | MMSL |
| 365023 | MMSL |
| d04524 | MMSL |
| 004313 | NDDF |
| 008834 | NDDF |
| 441671005 | SNOMEDCT_US |
| 441816007 | SNOMEDCT_US |
| D012436 | MESH_DESCRIPTOR_UI |
None