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 | 112.31 | 46.30 | 15 | 565 | 289 | 56291198 |
Serotonin syndrome | 75.26 | 46.30 | 22 | 558 | 26468 | 56265019 |
Nystagmus | 68.07 | 46.30 | 15 | 565 | 5810 | 56285677 |
Drug interaction | 59.95 | 46.30 | 33 | 547 | 209722 | 56081765 |
Right aortic arch | 56.58 | 46.30 | 8 | 572 | 236 | 56291251 |
Rhabdomyolysis | 54.20 | 46.30 | 19 | 561 | 40639 | 56250848 |
Congenital arterial malformation | 54.00 | 46.30 | 8 | 572 | 329 | 56291158 |
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 | 107.58 | 45.95 | 15 | 632 | 455 | 70927342 |
Serotonin syndrome | 67.80 | 45.95 | 22 | 625 | 42092 | 70885705 |
Nystagmus | 62.80 | 45.95 | 15 | 632 | 9340 | 70918457 |
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 |
d04524 | MMSL |
004313 | NDDF |
008834 | NDDF |
441671005 | SNOMEDCT_US |
441816007 | SNOMEDCT_US |
D012436 | MESH_DESCRIPTOR_UI |
None