elbasvir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
antivirals, hepatitis C Virus (HCV) NS5A inhibitors 5080 1370468-36-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • elbasvir
  • MK-8742
  • MK 8742
inhibits NS5A protein of hepatitis C virus
  • Molecular weight: 882.04
  • Formula: C49H55N9O7
  • CLOGP: 6.66
  • LIPINSKI: 3
  • HAC: 16
  • HDO: 4
  • TPSA: 188.80
  • ALOGS: -5.30
  • ROTB: 13
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
50 mg O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 4 Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 0.32 % Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,CAMK2D,EIF2AK3,GRK2,ITK,MAPK10,PDK1,PDK2,PDK4,PIK3CA,PRKDC 11
kinase-selectivity-class PDK1 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Jan. 28, 2016 FDA MERCK SHARP DOHME

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
Ulcer haemorrhage 268.21 59.55 119 16414 26202 90585712
Lupus vulgaris 213.00 59.55 121 16412 44938 90566976
Eye injury 209.54 59.55 78 16455 10942 90600972
Prescribed overdose 181.59 59.55 147 16386 97478 90514436
Therapeutic response decreased 123.91 59.55 114 16419 89615 90522299
Therapy non-responder 120.00 59.55 136 16397 136568 90475346
Lower limb fracture 119.32 59.55 109 16424 84904 90527010
Deep vein thrombosis postoperative 113.72 59.55 98 16435 70711 90541203
Liver disorder 108.73 59.55 122 16411 121147 90490767
Swollen joint count increased 106.82 59.55 116 16417 111090 90500824
Muscle injury 105.69 59.55 145 16388 176509 90435405
Rheumatic fever 101.26 59.55 132 16401 152989 90458925
Psoriatic arthropathy 94.71 59.55 158 16375 228177 90383737
Liver injury 91.63 59.55 133 16400 170434 90441480
Irritable bowel syndrome 89.32 59.55 146 16387 207302 90404612
Injury 87.83 59.55 141 16392 197208 90414706
Type 2 diabetes mellitus 87.45 59.55 143 16390 203101 90408813
Pemphigus 78.94 59.55 180 16353 326684 90285230
Oedema 78.26 59.55 135 16398 200160 90411754
Duodenal ulcer perforation 76.03 59.55 141 16392 221147 90390767
Blood cholesterol increased 74.56 59.55 135 16398 207877 90404037
Anti-cyclic citrullinated peptide antibody positive 69.44 59.55 141 16392 236292 90375622
Pericarditis 68.80 59.55 152 16381 269999 90341915
Prescribed underdose 68.10 59.55 76 16457 74943 90536971
Rheumatoid factor positive 67.44 59.55 116 16417 171534 90440380
Fall 65.99 59.55 6 16527 481804 90130110
Road traffic accident 65.29 59.55 89 16444 107537 90504377
Sleep disorder 65.29 59.55 124 16409 197906 90414008
Anti-cyclic citrullinated peptide antibody 63.66 59.55 47 16486 27174 90584740
Autoimmune disorder 63.32 59.55 74 16459 76670 90535244
Therapeutic product effect decreased 62.74 59.55 149 16384 277422 90334492
Helicobacter infection 61.58 59.55 131 16402 226719 90385195

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

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
Ulcer haemorrhage 178.58 75.05 74 12316 22497 110554412
Lupus vulgaris 174.01 75.05 82 12308 33801 110543108
Prescribed overdose 161.24 75.05 108 12282 87473 110489436
Lower limb fracture 136.48 75.05 92 12298 75256 110501653
Deep vein thrombosis postoperative 130.96 75.05 82 12308 59209 110517700
Swollen joint count increased 116.46 75.05 87 12303 83574 110493335
Rheumatic fever 114.57 75.05 101 12289 122478 110454431
Eye injury 106.50 75.05 38 12352 7717 110569192
Muscle injury 106.34 75.05 103 12287 140704 110436205
Therapy non-responder 96.76 75.05 103 12287 157204 110419705
Irritable bowel syndrome 96.58 75.05 105 12285 164110 110412799
Sciatica 88.04 75.05 77 12313 92322 110484587
Pemphigus 81.63 75.05 110 12280 214460 110362449
Rheumatoid factor positive 80.59 75.05 86 12304 131554 110445355
Adjustment disorder with depressed mood 78.03 75.05 53 12337 43830 110533079
Therapeutic response decreased 77.39 75.05 73 12317 96426 110480483
Duodenal ulcer perforation 76.75 75.05 97 12293 177603 110399306

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC J05AP10 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Antivirals for treatment of HCV infections
ATC J05AP54 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Antivirals for treatment of HCV infections
FDA MoA N0000190113 Breast Cancer Resistance Protein Inhibitors
FDA EPC N0000191256 Hepatitis C Virus NS5A Inhibitor
CHEBI has role CHEBI:36044 antiviral drug
CHEBI has role CHEBI:62868 hepatoprotective agent
CHEBI has role CHEBI:85185 hepatitis C virus nonstructural protein 5A inhibitor

Related Drugs by ATC class:

J05AP Antivirals for treatment of HCV infections 18 drugs
asunaprevirbeclabuvirboceprevirdaclatasvirdasabuvirglecaprevirgrazoprevirledipasvirombitasvirparitaprevirpibrentasvirribavirin show all 18 →

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Chronic hepatitis C indication 128302006




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.46 acidic
pKa2 12.98 acidic
pKa3 13.06 acidic
pKa4 13.59 acidic
pKa5 5.64 Basic
pKa6 5.03 Basic

Orange Book patent data (new drug applications)

Formulation strengthTrade nameApplicantApplication numberApproval dateTypeDose formRoutePatent numberPatent expiration datePatent use
50MG;100MG ZEPATIER MSD SUB MERCK N208261 Jan. 28, 2016 DISCN TABLET ORAL 7973040 July 24, 2029 TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS
50MG;100MG ZEPATIER MSD SUB MERCK N208261 Jan. 28, 2016 DISCN TABLET ORAL 8871759 May 4, 2031 TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Genome polyprotein Polyprotein INHIBITOR EC50 11.52 DRUG LABEL DRUG LABEL
Genome polyprotein Polyprotein INHIBITOR EC50 11.40 DRUG LABEL DRUG LABEL
Genome polyprotein Polyprotein INHIBITOR EC50 12.52 DRUG LABEL DRUG LABEL
NS5B protein Enzyme EC50 8.52 CHEMBL
Nonstructural protein 5A Unclassified EC50 10.70 CHEMBL

External reference:

IDSource
632L571YDK UNII
D10625 KEGG_DRUG
4035373 VANDF
C4080052 UMLSCUI
CHEBI:132967 CHEBI
CHEMBL3039514 ChEMBL_ID
71661251 PUBCHEM_CID
DB11574 DRUGBANK_ID
9851 INN_ID
C000589335 MESH_SUPPLEMENTAL_RECORD_UI
1734628 RXNORM
31482 MMSL
d08416 MMSL
016673 NDDF
716042006 SNOMEDCT_US
816100007 SNOMEDCT_US

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
ZEPATIER HUMAN PRESCRIPTION DRUG LABEL 2 0006-3074 TABLET, FILM COATED 50 mg ORAL NDA 31 sections
ZEPATIER HUMAN PRESCRIPTION DRUG LABEL 2 0006-3074 TABLET, FILM COATED 50 mg ORAL NDA 31 sections