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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 2296 55242-55-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • propentofylline
  • propentophylline
  • Molecular weight: 306.37
  • Formula: C15H22N4O3
  • CLOGP: 1.17
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 0
  • TPSA: 75.51
  • ALOGS: -2.05
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.172 Moderate 0.74
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.094 Moderate 0.74
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 51.523 10^-6 cm/s Moderate 0.74
dh-clint Dog hepatocyte intrinsic clearance 5.117 uL/min/10^6 cells Moderate 0.74
dppb Dog plasma protein binding (% unbound) 72.820 % Moderate 0.74
fcs-ppb Fetal calf serum protein binding (% unbound) 76.890 % Moderate 0.74
herg hERG pIC50 4.080 pIC50 Moderate 0.74
hh-clint Human hepatocyte intrinsic clearance 1.462 uL/min/10^6 cells Moderate 0.74
hlm-clint Human liver microsomal intrinsic clearance 5.916 uL/min/mg protein Moderate 0.74
hppb Human plasma protein binding (% unbound) 62.620 % Moderate 0.74
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK 26
kinase-selectivity-class AXL,CAMK2D,CDK16,CDK9,GRK2,IRAK1,MAPK7,MARK4,MET,PDK1,PRKDC,PTK2,SIK2,STK33,TEK 15
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.104 Moderate 0.74
mh-clint Mouse hepatocyte intrinsic clearance 10.209 Moderate 0.74
mppb Mouse plasma protein binding (% unbound) 60.330 Moderate 0.74
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 6.442 Moderate 0.74
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 74.560 % Moderate 0.74
rh-clint Rat hepatocyte intrinsic clearance 13.804 uL/min/10^6 cells Moderate 0.74
rh-fuinc Rat hepatocyte fraction unbound in incubation 94.400 % Moderate 0.74
rppb Rat plasma protein binding (% unbound) 47.470 % Moderate 0.74
solubility-dd Solubility at pH 7.4 in DMSO 941.890 uM Moderate 0.74

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 N06BC02 NERVOUS SYSTEM
PSYCHOANALEPTICS
PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Xanthine derivatives
MeSH PA D002491 Central Nervous System Agents
MeSH PA D018696 Neuroprotective Agents
MeSH PA D020011 Protective Agents

Related Drugs by ATC class:

N06BC Xanthine derivatives 1 drug
caffeine

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 1.63 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
Acetylcholinesterase Enzyme IC50 5.19 CHEMBL

External reference:

IDSource
D01630 KEGG_DRUG
C0072171 UMLSCUI
CHEBI:32061 CHEBI
POY PDB_CHEM_ID
CHEMBL1079905 ChEMBL_ID
DB06479 DRUGBANK_ID
C032114 MESH_SUPPLEMENTAL_RECORD_UI
4938 PUBCHEM_CID
5005 INN_ID
5RTA398U4H UNII
34644 RXNORM
008166 NDDF

Pharmaceutical products:

None