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

Stem definitionDrug idCAS RN
2003 26095-59-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • otilonium
  • otilonium bromide
  • octylonium bromide
  • Molecular weight: 483.67
  • Formula: C29H43N2O4
  • CLOGP: 4.02
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 64.63
  • ALOGS: -7.33
  • ROTB: 17

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.365 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 33.729 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.671 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 9.954 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 0.270 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 4.220 % High 1
herg hERG pIC50 5.494 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 5.984 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 31.261 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 0.250 % 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,KIT,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 53
kinase-selectivity-class AXL,EPHB4,GRK2,MAPK7,MTOR,PDK4,STK33,TEK,TTK 9
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 16.032 High 1
mh-clint Mouse hepatocyte intrinsic clearance 19.770 High 1
mppb Mouse plasma protein binding (% unbound) 0.230 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 78.886 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 1.300 % High 1
rh-clint Rat hepatocyte intrinsic clearance 13.002 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 1.130 % High 1
rppb Rat plasma protein binding (% unbound) 0.480 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 537.032 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
Apraxia 77.43 60.75 12 273 2250 90625912
Perseveration 64.89 60.75 8 277 277 90627885

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
Apraxia 69.12 51.69 12 429 3528 110585330
Perseveration 59.71 51.69 8 433 419 110588439

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03AB06 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthetic anticholinergics, quaternary ammonium compounds
ATC A03CA04 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
Synthetic anticholinergic agents in combination with psycholeptics
MeSH PA D000077264 Calcium-Regulating Hormones and Agents
MeSH PA D002121 Calcium Channel Blockers
MeSH PA D002317 Cardiovascular Agents
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D010276 Parasympatholytics
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018678 Cholinergic Agents
MeSH PA D018680 Cholinergic Antagonists
MeSH PA D018727 Muscarinic Antagonists
MeSH PA D049990 Membrane Transport Modulators

Related Drugs by ATC class:

A03AB Synthetic anticholinergics, quaternary ammonium compounds 19 drugs
A03CA Synthetic anticholinergic agents in combination with psycholeptics 10 drugs

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.34 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07083 KEGG_DRUG
105360-89-2 SECONDARY_CAS_RN
CHEMBL2103773 ChEMBL_ID
CHEMBL1433361 ChEMBL_ID
4325 INN_ID
21HN3N72PV UNII
DB13500 DRUGBANK_ID
32311 RXNORM
004187 NDDF
006121 NDDF
703514002 SNOMEDCT_US
703515001 SNOMEDCT_US
703516000 SNOMEDCT_US
C0134250 UMLSCUI
CHEBI:135780 CHEBI
7TB PDB_CHEM_ID
72092 PUBCHEM_CID
C013934 MESH_SUPPLEMENTAL_RECORD_UI
21HN3N72PV INXIGHT DRUGS

Pharmaceutical products:

None