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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 4368 437-74-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • xanthinol
  • xantinol
  • xantinol nicotinate
  • xanthinol nicotinate
  • xanthinol niacinate
A vasodilator used in peripheral vascular disorders and insufficiency. It may cause gastric discomfort and hypotension.
  • Molecular weight: 311.34
  • Formula: C13H21N5O4
  • CLOGP: -1.14
  • LIPINSKI: 0
  • HAC: 9
  • HDO: 2
  • TPSA: 102.14
  • ALOGS: -1.25
  • ROTB: 6

Drug dosage:

DoseUnitRoute
0.90 g O
0.90 g P

ADMET properties:

PropertyValueReference
BA (Bioavailability) 68 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK2,PIK3CD,PRKDC,SIK2,TEK 22
kinase-selectivity-class CDK9,GRK2,IRAK1,MAPK7,MET,PRKDC,TEK 7
pfas-class PFAS structural alert (1 = True, 0 = False) 0

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 C04AD02 CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Purine derivatives
MeSH PA D002317 Cardiovascular Agents
MeSH PA D014665 Vasodilator Agents
CHEBI has role CHEBI:25212 metabolite
CHEBI has role CHEBI:33231 antitubercular agent
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35476 antipsychotic agent
CHEBI has role CHEBI:35480 analgesic
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35620 vasodilator agent
CHEBI has role CHEBI:35679 antilipemic drug
CHEBI has role CHEBI:35821 anticholesteremic drug
CHEBI has role CHEBI:50247 antidote
CHEBI has role CHEBI:64946 anti-HIV agent
CHEBI has role CHEBI:74518 anti-obesity agent
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:75835 anti-anaemic agent
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76971 <em>Escherichia coli</em> metabolite
CHEBI has role CHEBI:84087 human urinary metabolite
CHEBI has role CHEBI:84264 EC 3.5.1.19 (nicotinamidase) inhibitor
CHEBI has role CHEBI:145947 antiatherosclerotic agent
CHEBI has role CHEBI:231911 renoprotective agent

Related Drugs by ATC class:

C04AD Purine derivatives 3 drugs
etofylline nicotinatepentifyllinepentoxifylline

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 13.25 acidic
pKa2 7.86 Basic
pKa3 1.66 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D06334 KEGG_DRUG
N0000167330 NUI
2530-97-4 SECONDARY_CAS_RN
4017661 VANDF
4019440 VANDF
C0301387 UMLSCUI
NIO PDB_CHEM_ID
9913 PUBCHEM_CID
DB09092 DRUGBANK_ID
CHEMBL1624126 ChEMBL_ID
CHEMBL1560089 ChEMBL_ID
11358 RXNORM
2275 MMSL
43641 MMSL
5169 MMSL
7161 MMSL
d00314 MMSL
001052 NDDF
003508 NDDF
10500003 SNOMEDCT_US
273943001 SNOMEDCT_US
63639004 SNOMEDCT_US
708562005 SNOMEDCT_US
D014971 MESH_DESCRIPTOR_UI
C0027996 UMLSCUI
CHEBI:94314 CHEBI
DB00627 DRUGBANK_ID
938 PUBCHEM_CID
TN1B5910V2 UNII
1492 INN_ID
CHEBI:15940 CHEBI

Pharmaceutical products:

None