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

Stem definitionDrug idCAS RN
local anaesthetics 3153 86-80-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • quinisocaine hydrochloride
  • dimethisoquin
  • quinisocain
  • quinisocaine
  • quinoleine
  • dimethisoquin hydrochloride
  • dimethisoquin HCl
  • Molecular weight: 272.39
  • Formula: C17H24N2O
  • CLOGP: 4.82
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 25.36
  • ALOGS: -3.62
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.896 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.661 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 22.182 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 225.424 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 1.450 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 3.430 % High 1
herg hERG pIC50 5.647 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 12.706 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 38.019 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 1.440 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK 44
kinase-selectivity-class AXL,BRAF 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.202 High 1
mh-clint Mouse hepatocyte intrinsic clearance 207.970 High 1
mppb Mouse plasma protein binding (% unbound) 2.650 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.417 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 5.590 % High 1
rh-clint Rat hepatocyte intrinsic clearance 408.319 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 7.360 % High 1
rppb Rat plasma protein binding (% unbound) 3.220 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 510.505 uM High 1

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 D04AB05 DERMATOLOGICALS
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Anesthetics for topical use
MeSH PA D000777 Anesthetics
MeSH PA D000779 Anesthetics, Local
MeSH PA D002491 Central Nervous System Agents
MeSH PA D002492 Central Nervous System Depressants
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018689 Sensory System Agents

Related Drugs by ATC class:

D04AB Anesthetics for topical use 6 drugs
benzocainecinchocainelidocaineoxybuprocainepramocainetetracaine

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 7.0 Basic
pKa2 5.2 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
Sodium channel alpha subunits; brain (Types I, II, III) Ion channel IC50 5.47 CHEMBL

External reference:

IDSource
D06661 KEGG_DRUG
CHEBI:93295 CHEBI
CHEMBL127643 ChEMBL_ID
CHEMBL1533364 ChEMBL_ID
C009146 MESH_SUPPLEMENTAL_RECORD_UI
2773-92-4 SECONDARY_CAS_RN
DB13683 DRUGBANK_ID
001374 NDDF
004576 NDDF
26379008 SNOMEDCT_US
734652004 SNOMEDCT_US
C0058202 UMLSCUI
367 INN_ID
6857 PUBCHEM_CID
772EN3BH6I UNII

Pharmaceutical products:

None