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

Stem definitionDrug idCAS RN
atropine derivatives 2022 99571-64-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • oxitropium iodide
  • oxytropium bromide
  • oxitropium
  • oxitropium bromide
  • Molecular weight: 332.42
  • Formula: C19H26NO4
  • CLOGP: -2.15
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 59.06
  • ALOGS: -4.76
  • ROTB: 6

Drug dosage:

DoseUnitRoute
0.60 mg Inhal.aerosol
4 mg Inhal.solution

ADMET properties:

PropertyValueReference
BA (Bioavailability) 1 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.208 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.667 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.318 10^-6 cm/s Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 2.307 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 92.920 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 81.400 % Moderate 0.71
herg hERG pIC50 4.124 pIC50 Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 1.282 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 3.206 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 85.370 % Moderate 0.71
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK4,PRKDC,TEK,TGFBR1 19
kinase-selectivity-class EIF2AK3,MAP2K6 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.490 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 7.780 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 90.760 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.841 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.65
pppb Pig plasma protein binding (% unbound) 91.080 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 5.808 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 96.210 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 81.290 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 859.014 uM Moderate 0.71

Approvals:

None

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 R03BB02 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
Anticholinergics
MeSH PA D010276 Parasympatholytics
MeSH PA D018373 Peripheral Nervous System Agents

Related Drugs by ATC class:

R03BB Anticholinergics 6 drugs
aclidinium bromideglycopyrronium bromideipratropiumrevefenacintiotropium bromideumeclidinium

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

DiseaseRelationSNOMED_IDDOID
Chronic obstructive lung disease indication 13645005 DOID:3083




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.24 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D01946 KEGG_DRUG
C0069776 UMLSCUI
CHEMBL4297364 ChEMBL_ID
DB12086 DRUGBANK_ID
CHEMBL4297109 ChEMBL_ID
C017590 MESH_SUPPLEMENTAL_RECORD_UI
6917866 PUBCHEM_CID
30286-75-0 SECONDARY_CAS_RN
8G15T83E6I UNII
32649 RXNORM
004014 NDDF
006120 NDDF
349953003 SNOMEDCT_US
395816001 SNOMEDCT_US
395993006 SNOMEDCT_US
CHEBI:135418 CHEBI
3955 INN_ID

Pharmaceutical products:

None