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

Stem definitionDrug idCAS RN
3509 77-04-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • presidon
  • benedorm
  • didropyridine
  • dihydroprylone
  • persedon
  • pyrithyldion
  • pyrithyldione
  • Molecular weight: 167.21
  • Formula: C9H13NO2
  • CLOGP: 1.30
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 46.17
  • ALOGS: -1.49
  • ROTB: 2

Drug dosage:

DoseUnitRoute
0.20 g O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.144 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.815 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 70.307 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 2.438 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 77.540 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 82.220 % High 1
herg hERG pIC50 3.916 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.581 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 4.169 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 84.210 % High 1
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK 38
kinase-selectivity-class ACVR2B,AXL,BRAF,EIF2AK3,GRK2,MAP2K6,STK33,TEK 8
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.094 High 1
mh-clint Mouse hepatocyte intrinsic clearance 8.730 High 1
mppb Mouse plasma protein binding (% unbound) 78.290 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.858 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 77.010 % High 1
rh-clint Rat hepatocyte intrinsic clearance 4.315 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 94.350 % High 1
rppb Rat plasma protein binding (% unbound) 71.990 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 398.107 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 N05CE03 NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Piperidinedione derivatives

Related Drugs by ATC class:

N05CE Piperidinedione derivatives 2 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 11.13 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07329 KEGG_DRUG
C0072736 UMLSCUI
CHEBI:94590 CHEBI
CHEMBL1722501 ChEMBL_ID
DB13331 DRUGBANK_ID
4994 PUBCHEM_CID
5022 INN_ID
C005589 MESH_SUPPLEMENTAL_RECORD_UI
8AB20823CK UNII

Pharmaceutical products:

None