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

Stem definitionDrug idCAS RN
2642 91-85-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • thonzylamine
  • neohetramine
major descriptor (72-84); file-maintained to PYRIMIDINES
  • Molecular weight: 286.38
  • Formula: C16H22N4O
  • CLOGP: 2.46
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 0
  • TPSA: 41.49
  • ALOGS: -2.59
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.258 Moderate 0.79
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.386 Moderate 0.79
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 29.242 10^-6 cm/s Moderate 0.79
dh-clint Dog hepatocyte intrinsic clearance 112.202 uL/min/10^6 cells Moderate 0.79
dppb Dog plasma protein binding (% unbound) 58.610 % Moderate 0.79
fcs-ppb Fetal calf serum protein binding (% unbound) 71.670 % Moderate 0.79
herg hERG pIC50 5.419 pIC50 Moderate 0.79
hh-clint Human hepatocyte intrinsic clearance 13.964 uL/min/10^6 cells Moderate 0.79
hlm-clint Human liver microsomal intrinsic clearance 14.791 uL/min/mg protein Moderate 0.79
hppb Human plasma protein binding (% unbound) 58.490 % Moderate 0.79
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 36
kinase-selectivity-class AXL,BRAF,ERBB2 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.267 Moderate 0.79
mh-clint Mouse hepatocyte intrinsic clearance 208.449 Moderate 0.79
mppb Mouse plasma protein binding (% unbound) 61.910 Moderate 0.79
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.815 Moderate 0.79
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 79.020 % Moderate 0.79
rh-clint Rat hepatocyte intrinsic clearance 175.388 uL/min/10^6 cells Moderate 0.79
rh-fuinc Rat hepatocyte fraction unbound in incubation 80.360 % Moderate 0.79
rppb Rat plasma protein binding (% unbound) 62.560 % Moderate 0.79
solubility-dd Solubility at pH 7.4 in DMSO 981.748 uM Moderate 0.79

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 D04AA01 DERMATOLOGICALS
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Antihistamines for topical use
ATC R01AC06 RESPIRATORY SYSTEM
NASAL PREPARATIONS
DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Antiallergic agents, excl. corticosteroids
ATC R06AC06 RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Substituted ethylene diamines
MeSH PA D006633 Histamine Antagonists
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018494 Histamine Agents

Related Drugs by ATC class:

D04AA Antihistamines for topical use 13 drugs
R01AC Antiallergic agents, excl. corticosteroids 7 drugs
R06AC Substituted ethylene diamines 5 drugs

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 7.8 Basic
pKa2 1.88 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D08587 KEGG_DRUG
C0175162 UMLSCUI
CHEBI:104017 CHEBI
CHEMBL1623738 ChEMBL_ID
DB11235 DRUGBANK_ID
C100145 MESH_SUPPLEMENTAL_RECORD_UI
5457 PUBCHEM_CID
4200 INN_ID
R79646H5Z8 UNII
1360721 RXNORM
d08090 MMSL
004792 NDDF
363553005 SNOMEDCT_US

Pharmaceutical products:

None