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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201239
CHEMBL1201239
Compound Name IODAMIDE
ChEMBL Synonyms UROMIRON | MEGLUMINE IODAMIDE INJECTION | SH 926 | IODAMIDE MEGLUMINE | UROMIRO | MEGLUMINE SODIUM IODAMIDE INJECTION | JODOMIRON | IODAMIDE | B-4130 | RENOVUE-65 | RENOVUE | RENOVUE-DIP
Max Phase 4 (Approved)
Trade Names RENOVUE | RENOVUE-65 | RENOVUE-DIP | JODOMIRON | UROMIRO | UROMIRON
Molecular Formula C12H11I3N2O4

Additional synonyms for CHEMBL1201239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
Standard InChI InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)1 ...
Download InChI
Standard InChI Key VVDGWALACJEJKG-UHFFFAOYSA-N

Sources

  • 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


CHEMBL1201239

Molecule Features

CHEMBL1201239 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov IODAMIDE
The Cochrane Collaboration IODAMIDE

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 CHEMBL1201239. 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 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.613

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.991
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.477

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
627.9 627.7853 2.79 4 95.5 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.08 - 1.41 -1.74 1 21 0.45

Structural Alerts

There are 6 structural alerts for CHEMBL1201239. 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
V08AA03 - iodamide

ChemSpider ChemSpider:VVDGWALACJEJKG-UHFFFAOYSA-N
PubChem SID: 144204899 SID: 170465213 SID: 26748392
Wikipedia Iodamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201239



ACToR 440-58-4
ChEBI 31703
DrugBank DB08948
DrugCentral 1452
EPA CompTox Dashboard DTXSID1023150
FDA SRS 4RII332O0R
IBM Patent System ECD9D23EE411DCD5719742ACD33E0A53
Nikkaji J5.741J
PubChem 3723
PubChem: Thomson Pharma 15385364
SureChEMBL SCHEMBL37885
ZINC ZINC000003830933

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