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

Stem definitionDrug idCAS RN
acetylcholinesterase inhibitors 3186 25573-43-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • eseridine tartrate
  • eseridine salicylate
  • eserine oxide salicylate
  • eseridine
  • geneserine
  • eserine aminoxide
  • eserine oxide
  • physostigmine aminoxide
  • Molecular weight: 291.35
  • Formula: C15H21N3O3
  • CLOGP: 2.17
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 54.04
  • ALOGS: -2.30
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.958 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.026 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 46.666 10^-6 cm/s Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 10.257 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 31.720 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 52.360 % Moderate 0.71
herg hERG pIC50 4.376 pIC50 Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 5.140 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 18.923 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 25.480 % Moderate 0.71
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.510 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 132.130 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 30.190 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 4.603 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.71
pppb Pig plasma protein binding (% unbound) 54.250 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 85.310 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 85.820 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 24.960 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 916.220 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:

None

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

DiseaseRelationSNOMED_IDDOID
Indigestion indication 162031009




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.89 acidic
pKa2 7.96 Basic
pKa3 6.48 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
Acetylcholinesterase Enzyme IC50 6.82 CHEMBL
Cholinesterase Enzyme IC50 7.92 CHEMBL
Acetylcholinesterase Enzyme IC50 5.76 CHEMBL

External reference:

IDSource
D07914 KEGG_DRUG
5995-96-0 SECONDARY_CAS_RN
C0637914 UMLSCUI
CHEBI:4855 CHEBI
CHEMBL123248 ChEMBL_ID
CHEMBL539874 ChEMBL_ID
65719 PUBCHEM_CID
5758 INN_ID
LW9S78L4M8 UNII
005663 NDDF
005664 NDDF
768343004 SNOMEDCT_US
C060406 MESH_SUPPLEMENTAL_RECORD_UI
LW9S78L4M8 INXIGHT DRUGS

Pharmaceutical products:

None