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

Stem definitionDrug idCAS RN
quinoline derivatives 2765 14504-73-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tritoqualine
  • hypostamin
  • hypostamine
  • inhibostamin
  • tritocaline
  • Molecular weight: 500.55
  • Formula: C26H32N2O8
  • CLOGP: 2.72
  • LIPINSKI: 1
  • HAC: 10
  • HDO: 1
  • TPSA: 110.94
  • ALOGS: -3.39
  • ROTB: 8

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.692 Moderate 0.66
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.406 Moderate 0.66
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 42.462 10^-6 cm/s Moderate 0.66
dh-clint Dog hepatocyte intrinsic clearance 48.195 uL/min/10^6 cells Moderate 0.66
dppb Dog plasma protein binding (% unbound) 1.290 % Moderate 0.66
fcs-ppb Fetal calf serum protein binding (% unbound) 5.560 % Moderate 0.66
herg hERG pIC50 4.666 pIC50 Moderate 0.66
hh-clint Human hepatocyte intrinsic clearance 52.360 uL/min/10^6 cells Moderate 0.66
hlm-clint Human liver microsomal intrinsic clearance 259.418 uL/min/mg protein Moderate 0.66
hppb Human plasma protein binding (% unbound) 1.380 % Moderate 0.66
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 51
kinase-selectivity-class ACVR2B,AXL,BRAF,EPHB4,GRK2,MAPK7,STK33,TTK 8
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.551 Moderate 0.66
mh-clint Mouse hepatocyte intrinsic clearance 231.739 Moderate 0.66
mppb Mouse plasma protein binding (% unbound) 1.630 Moderate 0.66
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.924 Moderate 0.66
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 4.670 % Moderate 0.66
rh-clint Rat hepatocyte intrinsic clearance 252.930 uL/min/10^6 cells Moderate 0.66
rh-fuinc Rat hepatocyte fraction unbound in incubation 21.320 % Moderate 0.66
rppb Rat plasma protein binding (% unbound) 1.690 % Moderate 0.66
solubility-dd Solubility at pH 7.4 in DMSO 13.836 uM Moderate 0.66

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 R06AX21 RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Other antihistamines for systemic use
MeSH PA D006633 Histamine Antagonists
MeSH PA D006634 Histamine H1 Antagonists
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018494 Histamine Agents

Related Drugs by ATC class:

R06AX Other antihistamines for systemic use 26 drugs
acrivastineantazolineastemizoleazatadineazelastinebamipinebilastinecyproheptadinedeptropinedesloratadineebastineepinastine show all 26 →

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 5.73 Basic
pKa2 5.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07405 KEGG_DRUG
C0077316 UMLSCUI
CHEBI:135802 CHEBI
CHEMBL2104445 ChEMBL_ID
DB13711 DRUGBANK_ID
C003722 MESH_SUPPLEMENTAL_RECORD_UI
1692 INN_ID
F4MW5166YH UNII
72145 PUBCHEM_CID
38810 RXNORM
005870 NDDF

Pharmaceutical products:

None