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

Stem definitionDrug idCAS RN
2408 78628-28-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • roxatidine acetate
  • aceroxatidine
  • pifatidine
  • roxatidine acetate hydrochloride
  • roxatidine acetate HCl
a histamine H2 receptor antagonist drug used to treat gastric ulcers
  • Molecular weight: 348.44
  • Formula: C19H28N2O4
  • CLOGP: 2.80
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 67.87
  • ALOGS: -3.76
  • ROTB: 10

Drug dosage:

DoseUnitRoute
0.15 g O

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 6.15 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
S (Water solubility) 77 mg/mL Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 85 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT2,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 54
kinase-selectivity-class AXL,BRAF,CDK4,CDK9,DDR1,EPHB4,GRK2,MAPK7,SIK2,STK33,TEK 11
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1986 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A02BA06 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
H2-receptor antagonists
MeSH PA D000897 Anti-Ulcer Agents
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D006633 Histamine Antagonists
MeSH PA D006635 Histamine H2 Antagonists
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018494 Histamine Agents
CHEBI has role CHEBI:49201 anti-ulcer drug

Related Drugs by ATC class:

A02BA H2-receptor antagonists 6 drugs
cimetidinefamotidinelafutidineniperotidinenizatidineranitidine

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

DiseaseRelationSNOMED_IDDOID
Zollinger-Ellison syndrome indication 53132006 DOID:0050782
Gastroesophageal reflux disease indication 235595009 DOID:8534
Gastric ulcer indication 397825006 DOID:10808




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.6 acidic
pKa2 8.7 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 H2 receptor GPCR ANTAGONIST Kd 7.60 WOMBAT-PK SCIENTIFIC LITERATURE

External reference:

IDSource
4025268 VUID
N0000179233 NUI
D01467 KEGG_DRUG
4025267 VANDF
4025268 VANDF
C0073601 UMLSCUI
CHEBI:94758 CHEBI
CHEMBL46102 ChEMBL_ID
DB08806 DRUGBANK_ID
CHEMBL2104871 ChEMBL_ID
C053742 MESH_SUPPLEMENTAL_RECORD_UI
5105 PUBCHEM_CID
93793-83-0 SECONDARY_CAS_RN
ZUP3LSD0DO UNII
114817 RXNORM
006256 NDDF
006257 NDDF
006258 NDDF
699481007 SNOMEDCT_US
699482000 SNOMEDCT_US
C0378091 UMLSCUI
CHEMBL4802233 ChEMBL_ID
78273-80-0 SECONDARY_CAS_RN
91276 PUBCHEM_CID
5830 INN_ID
IV9VHT3YUM UNII
CHEBI:230550 CHEBI
IV9VHT3YUM INXIGHT DRUGS
ZUP3LSD0DO INXIGHT DRUGS

Pharmaceutical products:

None