ebastine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
antihistaminics 977 90729-43-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ebastine
  • bastel
  • ebastel
  • ebastin
  • erostin
  • kestine
non-sedating second generation antihistamine which is used for allergic disorders
  • Molecular weight: 469.67
  • Formula: C32H39NO2
  • CLOGP: 6.94
  • LIPINSKI: 1
  • HAC: 3
  • HDO: 0
  • TPSA: 29.54
  • ALOGS: -6.86
  • ROTB: 10

Drug dosage:

DoseUnitRoute
10 mg O

ADMET properties:

PropertyValueReference
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 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1990 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Urticaria 105.42 23.70 72 2624 117820 46565546
Allergy test positive 71.72 23.70 13 2683 321 46683045
Gallbladder polyp 66.63 23.70 14 2682 755 46682611
Angioedema 52.44 23.70 31 2665 39311 46644055
Drug reaction with eosinophilia and systemic symptoms 43.92 23.70 25 2671 29523 46653843
Mixed liver injury 30.29 23.70 10 2686 3133 46680233
Mechanical urticaria 27.60 23.70 6 2690 380 46682986
Oesophagitis 27.10 23.70 14 2682 13637 46669729
Sprue-like enteropathy 26.78 23.70 6 2690 437 46682929
Pyrexia 24.83 23.70 59 2637 348743 46334623
Aspartate aminotransferase increased 23.98 23.70 26 2670 78674 46604692

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Dental caries 81.30 28.04 23 1675 4408 29946372
Vitamin D deficiency 60.66 28.04 19 1679 5151 29945629
Diabetes mellitus inadequate control 57.43 28.04 23 1675 12739 29938041
Blood pressure fluctuation 53.61 28.04 24 1674 17479 29933301
Hepatitis 45.07 28.04 23 1675 22333 29928447
Musculoskeletal stiffness 37.41 28.04 24 1674 35857 29914923
Eczema 36.71 28.04 17 1681 13352 29937428
Colitis 33.07 28.04 21 1677 30799 29919981
Hypocoagulable state 32.33 28.04 8 1690 913 29949867
Gastrointestinal disorder 32.27 28.04 20 1678 28117 29922663
Rheumatoid arthritis 29.79 28.04 22 1676 41175 29909605
Haematochezia 28.70 28.04 20 1678 34202 29916578

Pharmacologic Action:

SourceCodeDescription
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

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Allergic rhinitis indication 61582004
Chronic idiopathic urticaria indication 302162004

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.87 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Histamine H1 receptor GPCR ANTAGONIST Ki 8 WOMBAT-PK SCIENTIFIC LITERATURE
Alpha-2A adrenergic receptor GPCR Ki 6.51 DRUG MATRIX
Sodium-dependent serotonin transporter Transporter Ki 6.19 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 6.34 DRUG MATRIX
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 M2 GPCR Ki 6.55 DRUG MATRIX
Muscarinic acetylcholine receptor M3 GPCR Ki 6.86 DRUG MATRIX
Muscarinic acetylcholine receptor M4 GPCR Ki 6.94 DRUG MATRIX
Muscarinic acetylcholine receptor M5 GPCR Ki 6.61 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
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 6.55 WOMBAT-PK
Multidrug resistance protein 1 Transporter IC50 5.82 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 7.33 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR IC50 5.96 CHEMBL
D(2) dopamine receptor GPCR IC50 7.21 CHEMBL
D(1A) dopamine receptor GPCR Ki 6.22 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
Histamine H1 receptor GPCR IC50 7.35 CHEMBL
Alpha-1A adrenergic receptor GPCR IC50 5.58 CHEMBL

External reference:

IDSource
D01478 KEGG_DRUG
C1530010 UMLSCUI
CHEBI:31528 CHEBI
CHEMBL305660 ChEMBL_ID
DB11742 DRUGBANK_ID
C058249 MESH_SUPPLEMENTAL_RECORD_UI
3191 PUBCHEM_CID
5633 INN_ID
TQD7Q784P1 UNII
23796 RXNORM
007136 NDDF

Pharmaceutical products:

None