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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201220
CHEMBL1201220
Compound Name DIATRIZOIC ACID
ChEMBL Synonyms CARDIOGRAFIN | HYPAQUE SODIUM | RENO-30 | DIATRIZOIC ACID | HYPAQUE-CYSTO | UROVIST SODIUM 300 | SODIUM DIATRIZOATE | MEGLUMINE SODIUM AMIDOTRIZOATE INJECTION | HYPAQUE | DIATRIZOATE SODIUM I 131 | DIATRIZOATE METHYLGLUCAMINE | DIATRIZOATE MEGLUMINE | CYSTOGRAFIN | RENO-DIP | RENO-60 | RENO | MEGLUMINE AMIDOTRIZOATE INJECTION | CYSTOGRAFIN DILUTE | UROVIST MEGLUMINE DIU/CT | Md | DIATRIZOATE SODIUM | UROVIST CYSTO | SODIUM AMIDOTRIZOATE | UROVIST SODIUM | ANGIOVIST 282 | MEGLUMINE DIATRIZOATE | MEGLUMINE AMIDOTRIZOATE | AMIDOTRIZOIC ACID | MD-50 | UROVIST CYSTO PEDIATRIC
Max Phase 4 (Approved)
Trade Names UROVIST SODIUM | ANGIOVIST 282 | HYPAQUE SODIUM | MD-50 | CYSTOGRAFIN DILUTE | RENO | UROVIST MEGLUMINE DIU/CT | Md | UROVIST CYSTO | CARDIOGRAFIN | RENO-30 | UROVIST CYSTO PEDIATRIC | HYPAQUE-CYSTO | HYPAQUE | UROVIST SODIUM 300 | CYSTOGRAFIN | DIATRIZOATE MEGLUMINE | RENO-60 | RENO-DIP
Molecular Formula C11H9I3N2O4

Additional synonyms for CHEMBL1201220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
Standard InChI InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8( ...
Download InChI
Standard InChI Key YVPYQUNUQOZFHG-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201220

Molecule Features

CHEMBL1201220 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov DIATRIZOIC ACID
The Cochrane Collaboration DIATRIZOIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201220. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.954
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.781
CHEMBL4263 Acetolactate synthase Arabidopsis thaliana 0.777
CHEMBL3864 Protein-tyrosine phosphatase 2C Homo sapiens 0.733
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 0.690
CHEMBL3629 Casein kinase II alpha Homo sapiens 0.211



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4263 Acetolactate synthase Arabidopsis thaliana 0.873
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.870
CHEMBL4070 Casein kinase II alpha (prime) Homo sapiens 0.745
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.439
CHEMBL3629 Casein kinase II alpha Homo sapiens 0.433
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 0.267
CHEMBL3253 Serum albumin Homo sapiens 0.243

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
613.9 613.7696 1.44 3 95.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.92 - .49 -2.66 1 20 0.45

Structural Alerts

There are 6 structural alerts for CHEMBL1201220. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V08 - CONTRAST MEDIA
V08A - X-RAY CONTRAST MEDIA, IODINATED
V08AA - Watersoluble, nephrotropic, high osmolar X-ray contrast media
V08AA01 - diatrizoic acid

ChemSpider ChemSpider:YVPYQUNUQOZFHG-UHFFFAOYSA-N
DailyMed diatrizoate meglumine diatrizoate sodium
PubChem SID: 144212246
Wikipedia Diatrizoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201220



ACToR 117-96-4
BindingDB 62875
ChEBI 53691
DrugBank DB00271
DrugCentral 851
eMolecules 537757
EPA CompTox Dashboard DTXSID0044521
FDA SRS 5UVC90J1LK
Human Metabolome Database HMDB0014416
IBM Patent System 5BA1EAEB3468A18B15B9B434B86ED4F7
Mcule MCULE-8826505259
MolPort MolPort-003-941-200
Nikkaji J5.294I
PharmGKB PA449281
PubChem 2140
PubChem: Thomson Pharma 14814018
SureChEMBL SCHEMBL8508
ZINC ZINC000004097476

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YVPYQUNUQOZFHG-UHFFFAOYSA-N spacer
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