Stem definition | Drug id | CAS RN |
---|---|---|
antihistaminics | 977 | 90729-43-4 |
Dose | Unit | Route |
---|---|---|
10 | mg | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 2 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.61 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1990 | YEAR INTRODUCED |
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 |
---|---|---|---|---|---|---|
Urticaria | 95.62 | 26.21 | 68 | 2608 | 129493 | 50472955 |
Allergy test positive | 76.82 | 26.21 | 14 | 2662 | 391 | 50602057 |
Gallbladder polyp | 68.76 | 26.21 | 14 | 2662 | 707 | 50601741 |
Drug reaction with eosinophilia and systemic symptoms | 64.49 | 26.21 | 31 | 2645 | 28393 | 50574055 |
Angioedema | 59.01 | 26.21 | 32 | 2644 | 37644 | 50564804 |
Mixed liver injury | 30.24 | 26.21 | 10 | 2666 | 3441 | 50599007 |
Systemic infection | 29.94 | 26.21 | 9 | 2667 | 2274 | 50600174 |
Rhinorrhoea | 28.84 | 26.21 | 23 | 2653 | 51560 | 50550888 |
Oesophagitis | 28.53 | 26.21 | 14 | 2662 | 13369 | 50589079 |
Mechanical urticaria | 27.96 | 26.21 | 6 | 2670 | 391 | 50602057 |
Sprue-like enteropathy | 26.31 | 26.21 | 6 | 2670 | 517 | 50601931 |
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 |
---|---|---|---|---|---|---|
Dental caries | 84.40 | 29.36 | 23 | 1529 | 4157 | 29568818 |
Vitamin D deficiency | 60.86 | 29.36 | 19 | 1533 | 5510 | 29567465 |
Diabetes mellitus inadequate control | 60.30 | 29.36 | 23 | 1529 | 12111 | 29560864 |
Blood pressure fluctuation | 52.46 | 29.36 | 24 | 1528 | 19870 | 29553105 |
Hepatitis | 39.39 | 29.36 | 20 | 1532 | 20763 | 29552212 |
Rheumatoid arthritis | 38.92 | 29.36 | 23 | 1529 | 32129 | 29540846 |
Colitis | 36.90 | 29.36 | 22 | 1530 | 31226 | 29541749 |
Musculoskeletal stiffness | 35.68 | 29.36 | 23 | 1529 | 37435 | 29535540 |
Hypocoagulable state | 33.14 | 29.36 | 8 | 1544 | 890 | 29572085 |
Haematochezia | 31.07 | 29.36 | 21 | 1531 | 36962 | 29536013 |
Gastrointestinal disorder | 30.77 | 29.36 | 19 | 1533 | 28687 | 29544288 |
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 |
---|---|---|---|---|---|---|
Urticaria | 106.61 | 21.32 | 84 | 4224 | 147233 | 64347191 |
Allergy test positive | 78.72 | 21.32 | 15 | 4293 | 421 | 64494003 |
Drug reaction with eosinophilia and systemic symptoms | 69.70 | 21.32 | 44 | 4264 | 54173 | 64440251 |
Angioedema | 59.72 | 21.32 | 42 | 4266 | 61779 | 64432645 |
Gallbladder polyp | 56.80 | 21.32 | 13 | 4295 | 899 | 64493525 |
Dental caries | 53.96 | 21.32 | 22 | 4286 | 10778 | 64483646 |
Diabetes mellitus inadequate control | 42.46 | 21.32 | 23 | 4285 | 21298 | 64473126 |
Eczema | 40.38 | 21.32 | 25 | 4283 | 29695 | 64464729 |
Vitamin D deficiency | 39.29 | 21.32 | 18 | 4290 | 11674 | 64482750 |
Mechanical urticaria | 27.18 | 21.32 | 6 | 4302 | 352 | 64494072 |
Hypocoagulable state | 25.48 | 21.32 | 8 | 4300 | 1845 | 64492579 |
Hepatitis | 24.60 | 21.32 | 22 | 4286 | 45560 | 64448864 |
Blood pressure fluctuation | 24.05 | 21.32 | 23 | 4285 | 51848 | 64442576 |
Musculoskeletal stiffness | 22.54 | 21.32 | 34 | 4274 | 123172 | 64371252 |
Systemic infection | 22.26 | 21.32 | 9 | 4299 | 4312 | 64490112 |
Colitis | 21.66 | 21.32 | 23 | 4285 | 58651 | 64435773 |
None
Source | Code | Description |
---|---|---|
ATC | R06AX22 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Other antihistamines for systemic use |
MeSH PA | D018494 | Histamine Agents |
MeSH PA | D006633 | Histamine Antagonists |
MeSH PA | D006634 | Histamine H1 Antagonists |
MeSH PA | D018377 | Neurotransmitter Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Allergic rhinitis | indication | 61582004 | |
Chronic idiopathic urticaria | indication | 302162004 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.87 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Histamine H1 receptor | GPCR | ANTAGONIST | Ki | 8 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
D(1A) dopamine receptor | GPCR | Ki | 6.22 | DRUG MATRIX | |||||
D(2) dopamine receptor | GPCR | IC50 | 7.21 | CHEMBL | |||||
Alpha-2A adrenergic receptor | GPCR | Ki | 6.51 | DRUG MATRIX | |||||
Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 6.55 | WOMBAT-PK | |||||
Multidrug resistance protein 1 | Transporter | IC50 | 5.82 | CHEMBL | |||||
Sodium-dependent noradrenaline transporter | Transporter | Ki | 6.34 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 1A | GPCR | IC50 | 7.33 | CHEMBL | |||||
5-hydroxytryptamine receptor 2A | GPCR | Ki | 7.59 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.70 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.91 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.99 | DRUG MATRIX | |||||
Alpha-2B adrenergic receptor | GPCR | Ki | 6.47 | DRUG MATRIX | |||||
D(3) dopamine receptor | GPCR | Ki | 7.38 | DRUG MATRIX | |||||
Histamine H2 receptor | GPCR | Ki | 5.54 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M1 | GPCR | IC50 | 5.96 | CHEMBL | |||||
Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.55 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M3 | GPCR | Ki | 6.86 | DRUG MATRIX | |||||
Sodium-dependent serotonin transporter | Transporter | Ki | 6.19 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M5 | GPCR | Ki | 6.62 | DRUG MATRIX | |||||
Beta-3 adrenergic receptor | GPCR | Ki | 5.72 | DRUG MATRIX | |||||
Alpha-2C adrenergic receptor | GPCR | Ki | 7.40 | DRUG MATRIX | |||||
Sodium-dependent dopamine transporter | Transporter | Ki | 7.11 | DRUG MATRIX | |||||
Adenosine receptor A3 | GPCR | Ki | 5.74 | DRUG MATRIX | |||||
D(4) dopamine receptor | GPCR | Ki | 6.34 | DRUG MATRIX | |||||
Alpha-1D adrenergic receptor | GPCR | Ki | 6.06 | DRUG MATRIX | |||||
Acetylcholinesterase | Enzyme | IC50 | 5.13 | DRUG MATRIX | |||||
Epidermal growth factor receptor | Kinase | IC50 | 6.25 | DRUG MATRIX | |||||
Tyrosine-protein kinase Fyn | Kinase | IC50 | 6.09 | DRUG MATRIX | |||||
Receptor tyrosine-protein kinase erbB-2 | Kinase | IC50 | 5.98 | DRUG MATRIX | |||||
Substance-K receptor | GPCR | Ki | 6.19 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M4 | GPCR | Ki | 6.94 | DRUG MATRIX | |||||
Alpha-1B adrenergic receptor | GPCR | Ki | 6.63 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 1B | GPCR | Ki | 5.85 | DRUG MATRIX | |||||
Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 5.87 | DRUG MATRIX | |||||
Alpha-1A adrenergic receptor | GPCR | IC50 | 5.58 | CHEMBL | |||||
Histamine H1 receptor | GPCR | IC50 | 7.35 | CHEMBL |
ID | Source |
---|---|
D01478 | KEGG_DRUG |
C0058895 | UMLSCUI |
CHEBI:31528 | CHEBI |
CHEMBL305660 | ChEMBL_ID |
DB11742 | DRUGBANK_ID |
C058249 | MESH_SUPPLEMENTAL_RECORD_UI |
5633 | INN_ID |
TQD7Q784P1 | UNII |
3191 | PUBCHEM_CID |
23796 | RXNORM |
007136 | NDDF |
None