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

Stem definitionDrug idCAS RN
iodine-containing contrast media 1466 89797-00-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • iopentol
  • Molecular weight: 835.17
  • Formula: C20H28I3N3O9
  • CLOGP: -2.47
  • LIPINSKI: 3
  • HAC: 12
  • HDO: 7
  • TPSA: 188.89
  • ALOGS: -3.27
  • ROTB: 13

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.20 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.27 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 1 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 2.04 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,ACVRL1,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 31
kinase-selectivity-class ALK,AURKC,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK16,CDK4,CDK6,CDK9,CLK4,DYRK1B,EIF2AK3,EPHB4,FLT3,GAK,GRK2,GSK3A,GSK3B,IRAK3,MAP2K6,MAP3K21,MAP4K1,MAPK7,PDK1,PIK3CD,PRKDC,SIK2,SIK3,STK17A,STK33,SYK,TEK,TGFBR1,TTK,TYRO3,ULK1,ULK2 39
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 V08AB08 VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Watersoluble, nephrotropic, low osmolar X-ray contrast media
MeSH PA D003287 Contrast Media
MeSH PA D064907 Diagnostic Uses of Chemicals

Related Drugs by ATC class:

V08AB Watersoluble, nephrotropic, low osmolar X-ray contrast media 11 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 10.73 acidic
pKa2 11.33 acidic
pKa3 13.7 acidic
pKa4 13.95 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D04582 KEGG_DRUG
C0063815 UMLSCUI
CHEBI:135893 CHEBI
CHEMBL2104783 ChEMBL_ID
DB13861 DRUGBANK_ID
C053571 MESH_SUPPLEMENTAL_RECORD_UI
5580 INN_ID
7D6XWX076T UNII
56016 PUBCHEM_CID
27779 RXNORM
006220 NDDF

Pharmaceutical products:

None