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

Stem definitionDrug idCAS RN
atropine derivatives 4660 31610-87-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • methylatropine
  • methylatropinium
  • atropine methonitrate
  • atropine methobromide
  • methylatropine nitrate
  • Molecular weight: 304.41
  • Formula: C18H26NO3
  • CLOGP: -3.02
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 46.53
  • ALOGS: -4.78
  • ROTB: 5

Drug dosage:

DoseUnitRoute
3 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.708 High 0.80
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.538 High 0.80
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.397 10^-6 cm/s High 0.80
dh-clint Dog hepatocyte intrinsic clearance 3.793 uL/min/10^6 cells High 0.80
dppb Dog plasma protein binding (% unbound) 88.540 % High 0.80
fcs-ppb Fetal calf serum protein binding (% unbound) 48.560 % High 0.80
herg hERG pIC50 4.393 pIC50 High 0.80
hh-clint Human hepatocyte intrinsic clearance 1.928 uL/min/10^6 cells High 0.80
hlm-clint Human liver microsomal intrinsic clearance 3.327 uL/min/mg protein High 0.80
hppb Human plasma protein binding (% unbound) 76.180 % High 0.80
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 1
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.527 Moderate 0.70
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.447 High 0.80
mh-clint Mouse hepatocyte intrinsic clearance 29.580 High 0.80
mppb Mouse plasma protein binding (% unbound) 86.320 High 0.80
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.507 High 0.80
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 High 0.80
pppb Pig plasma protein binding (% unbound) 77.970 % High 0.80
rat-kpuu-brain Rat brain Kpuu 0.003 % Moderate 0.70
rh-clint Rat hepatocyte intrinsic clearance 15.668 uL/min/10^6 cells High 0.80
rh-fuinc Rat hepatocyte fraction unbound in incubation 90.400 % High 0.80
rppb Rat plasma protein binding (% unbound) 74.950 % High 0.80
solubility-dd Solubility at pH 7.4 in DMSO 833.681 uM High 0.80

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 A03BB02 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
BELLADONNA AND DERIVATIVES, PLAIN
Belladonna alkaloids, semisynthetic, quaternary ammonium compounds
MeSH PA D010276 Parasympatholytics
MeSH PA D018373 Peripheral Nervous System Agents

Related Drugs by ATC class:

A03BB Belladonna alkaloids, semisynthetic, quaternary ammonium compounds 5 drugs
cimetropiumfentoniummethscopolaminemethylhomatropinescopolamine butylbromide

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 13.24 acidic

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
Muscarinic acetylcholine receptor M2 GPCR Kd 8.57 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR Kd 8.60 CHEMBL
Muscarinic acetylcholine receptor M3 GPCR Kd 8.59 CHEMBL
Muscarinic acetylcholine receptor DM1 GPCR Ki 8.62 CHEMBL

External reference:

IDSource
D01077 KEGG_DRUG
4018467 VANDF
CHEBI:134749 CHEBI
CHEMBL1187724 ChEMBL_ID
CHEMBL516476 ChEMBL_ID
CHEMBL2146143 ChEMBL_ID
C006649 MESH_SUPPLEMENTAL_RECORD_UI
52-88-0 SECONDARY_CAS_RN
DB13833 DRUGBANK_ID
001716 NDDF
006113 NDDF
391795000 SNOMEDCT_US
C0066332 UMLSCUI
656598 PUBCHEM_CID
436 INN_ID
80719I460H UNII

Pharmaceutical products:

None