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

Stem definitionDrug idCAS RN
sulpiride derivatives and analogues 1512 122898-67-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • itopride hydrochloride
  • ganaton
  • itopride
  • itropride
  • itopride HCl
  • Molecular weight: 358.44
  • Formula: C20H26N2O4
  • CLOGP: 2.64
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 60.03
  • ALOGS: -4.14
  • ROTB: 9

Drug dosage:

DoseUnitRoute
0.15 g O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.778 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 7.603 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 5.610 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 4.819 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 50.290 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 71.430 % High 1
herg hERG pIC50 4.471 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.455 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.420 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 27.130 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK1,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 51
kinase-selectivity-class AXL,EIF2AK3,EPHB4,GRK2,PDK4,SIK2 6
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 7.328 High 1
mh-clint Mouse hepatocyte intrinsic clearance 9.333 High 1
mppb Mouse plasma protein binding (% unbound) 50.350 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 16.482 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 66.310 % High 1
rh-clint Rat hepatocyte intrinsic clearance 5.970 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 82.750 % High 1
rppb Rat plasma protein binding (% unbound) 41.900 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 905.733 uM High 1

Approvals:

None

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
Trimethylaminuria 172.95 56.47 21 956 171 90627299
Pseudomembranous colitis 109.93 56.47 21 956 3847 90623623
Megacolon 108.12 56.47 19 958 2195 90625275
Peritonitis 104.40 56.47 27 950 19678 90607792
Dysbiosis 85.73 56.47 15 962 1687 90625783
Intestinal perforation 83.20 56.47 21 956 13860 90613610
Drug interaction 75.59 56.47 43 934 276410 90351060
Inhibitory drug interaction 58.47 56.47 12 965 3151 90624319

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
Trimethylaminuria 176.54 38.37 22 1352 193 110587732
Pseudomembranous colitis 101.99 38.37 22 1352 6369 110581556
Megacolon 98.68 38.37 20 1354 4285 110583640
Peritonitis 95.56 38.37 29 1345 32578 110555347
Dysbiosis 86.58 38.37 16 1358 2116 110585809
Intestinal perforation 76.05 38.37 22 1352 20922 110567003
Inhibitory drug interaction 56.73 38.37 13 1361 4934 110582991
White blood cells urine positive 51.31 38.37 13 1361 7511 110580414
Drug interaction 50.86 38.37 45 1329 500138 110087787
Breath odour 50.08 38.37 10 1364 1982 110585943
Clostridium difficile infection 49.39 38.37 20 1354 52109 110535816
Urine odour abnormal 46.58 38.37 12 1362 7403 110580522
Bacterial test positive 45.71 38.37 12 1362 7965 110579960
Psychomotor retardation 41.20 38.37 11 1363 7781 110580144

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03FA07 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
PROPULSIVES
Propulsives

Related Drugs by ATC class:

A03FA Propulsives 9 drugs
acotiamidealizapridebromopridecinitapridecisaprideclebopridedomperidonemetoclopramidemosapride

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

DiseaseRelationSNOMED_IDDOID
Chronic gastritis indication 8493009




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.61 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D02729 KEGG_DRUG
122892-31-3 SECONDARY_CAS_RN
C0531483 UMLSCUI
CHEBI:94809 CHEBI
CHEMBL2107457 ChEMBL_ID
DB04924 DRUGBANK_ID
C102254 MESH_SUPPLEMENTAL_RECORD_UI
3792 PUBCHEM_CID
6879 INN_ID
81BMQ80QRL UNII
017624 NDDF
017625 NDDF
1217454005 SNOMEDCT_US
20691000122100 SNOMEDCT_US
81BMQ80QRL INXIGHT DRUGS

Pharmaceutical products:

None