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

Stem definitionDrug idCAS RN
quaternary ammonium compounds 801 56-94-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • demecarium bromide
  • demecarium
  • demekarium bromide
  • demekastigmine bromide
major descriptor (65-85); on-line search AMMONIUM COMPOUNDS (66-85); Index Medicus search DEMECARIUM BROMIDE (65-85)
  • Molecular weight: 556.79
  • Formula: C32H52N4O4
  • CLOGP: -2.09
  • LIPINSKI: 1
  • HAC: 8
  • HDO: 0
  • TPSA: 59.08
  • ALOGS: -7.57
  • ROTB: 17
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
0.10 ml None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.030 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 74.645 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.123 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 17.378 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 2.920 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 33.030 % Moderate 0.69
herg hERG pIC50 5.061 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 5.309 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 238.232 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 1.370 % Moderate 0.69
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 57
kinase-selectivity-class AXL,BRAF,CDK4,CSF1R,DDR1,EIF2AK3,EPHB4,ERBB2,GRK2,MAPK7,MTOR,PDK4,PRKCD,SIK2,STK33,TEK 16
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 17.378 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 29.854 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 5.110 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 17.418 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 19.420 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 39.902 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 56.980 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 12.280 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 1016.249 uM Moderate 0.69

Approvals:

DateAgencyCompanyOrphan
Aug. 5, 1959 FDA

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 S01EB04 SENSORY ORGANS
OPHTHALMOLOGICALS
ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Parasympathomimetics
MeSH PA D002800 Cholinesterase Inhibitors
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018678 Cholinergic Agents
CHEBI has role CHEBI:37733 EC 3.1.1.8 (cholinesterase) inhibitor
CHEBI has role CHEBI:38462 EC 3.1.1.7 (acetylcholinesterase) inhibitor

Related Drugs by ATC class:

S01EB Parasympathomimetics 9 drugs
aceclidineacetylcholinecarbacholechothiophatefluostigmineneostigmineparaoxonphysostigminepilocarpine

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

None

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
Acetylcholinesterase Enzyme INHIBITOR DRUGBANK CHEMBL

External reference:

IDSource
4017960 VUID
N0000179097 NUI
D00667 KEGG_DRUG
16505-84-3 SECONDARY_CAS_RN
107771 RXNORM
4017960 VANDF
4019706 VANDF
C0360174 UMLSCUI
CHEMBL1201229 ChEMBL_ID
CHEMBL1200514 ChEMBL_ID
DB00944 DRUGBANK_ID
C100193 MESH_SUPPLEMENTAL_RECORD_UI
ILP8XJ8R5K UNII
5966 PUBCHEM_CID
4542 MMSL
001710 NDDF
372827003 SNOMEDCT_US
49145008 SNOMEDCT_US
70934008 SNOMEDCT_US
CHEBI:4391 CHEBI
769 INN_ID
ILP8XJ8R5K INXIGHT DRUGS

Pharmaceutical products:

None