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

Stem definitionDrug idCAS RN
2702 29218-27-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • humoryl
  • toloxatone
  • taloxotone
oxazolidinone derivative; psychotropic drug; structure
  • Molecular weight: 207.23
  • Formula: C11H13NO3
  • CLOGP: 1.48
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 49.77
  • ALOGS: -0.58
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 56 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 1.50 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 11 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.49 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.60 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.963 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.561 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 94.624 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 5.082 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 50.750 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 56.580 % High 1
herg hERG pIC50 4.090 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.135 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.069 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 57.260 % High 1
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK 41
kinase-selectivity-class AXL,GRK2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.236 High 1
mh-clint Mouse hepatocyte intrinsic clearance 13.868 High 1
mppb Mouse plasma protein binding (% unbound) 55.160 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.138 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 69.860 % High 1
rh-clint Rat hepatocyte intrinsic clearance 10.593 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 95.970 % High 1
rppb Rat plasma protein binding (% unbound) 46.950 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 937.562 uM High 1

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Phaeochromocytoma 42.04 36.10 4 4 613 90627826

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Phaeochromocytoma 41.58 33.48 4 4 841 110588450

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC N06AG03 NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Monoamine oxidase A inhibitors
MeSH PA D000928 Antidepressive Agents
MeSH PA D002491 Central Nervous System Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D008996 Monoamine Oxidase Inhibitors
MeSH PA D011619 Psychotropic Drugs
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:38623 EC 1.4.3.4 (monoamine oxidase) inhibitor

Related Drugs by ATC class:

N06AG Monoamine oxidase A inhibitors 1 drug

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

DiseaseRelationSNOMED_IDDOID
Depressive disorder indication 35489007




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.77 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
Amine oxidase [flavin-containing] A Enzyme INHIBITOR Ki 5.82 CHEMBL SCIENTIFIC LITERATURE
Amine oxidase [flavin-containing] B Enzyme Ki 4.82 CHEMBL
Amine oxidase [flavin-containing] A Enzyme Ki 6.42 CHEMBL
Amine oxidase [flavin-containing] A Enzyme Ki 6.42 CHEMBL
Amine oxidase [flavin-containing] B Enzyme Ki 4.82 CHEMBL

External reference:

IDSource
D02559 KEGG_DRUG
C0076804 UMLSCUI
CHEBI:134870 CHEBI
CHEMBL18116 ChEMBL_ID
DB09245 DRUGBANK_ID
34521 PUBCHEM_CID
C010798 MESH_SUPPLEMENTAL_RECORD_UI
3429 INN_ID
5T206015T5 UNII
38382 RXNORM
005364 NDDF
5T206015T5 INXIGHT DRUGS

Pharmaceutical products:

None