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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1451116
CHEMBL1451116
Compound Name IODOFORM
ChEMBL Synonyms IODOFORM
Max Phase 4 (Approved)
Trade Names
Molecular Formula CHI3

Additional synonyms for CHEMBL1451116 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES IC(I)I
Standard InChI InChI=1S/CHI3/c2-1(3)4/h1H
Standard InChI Key OKJPEAGHQZHRQV-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1451116

Molecule Features

CHEMBL1451116 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov IODOFORM
The Cochrane Collaboration IODOFORM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
393.7 393.7212 0.72 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.12 3.12 0 4 0.42

Structural Alerts

There are 10 structural alerts for CHEMBL1451116. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D09 - MEDICATED DRESSINGS
D09A - MEDICATED DRESSINGS
D09AA - Medicated dressings with antiinfectives
D09AA13 - iodoform

ChemSpider ChemSpider:OKJPEAGHQZHRQV-UHFFFAOYSA-N
PubChem SID: 144204675 SID: 144209587 SID: 144213091 SID: 17389850 SID: 26752992
Wikipedia Iodoform

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1451116



ACToR 75-47-8
Atlas Iodoform
ChEBI 37758
DrugBank DB13813
DrugCentral 4579
eMolecules 478488
EPA CompTox Dashboard DTXSID4020743
FDA SRS KXI2J76489
IBM Patent System A2BE824417270DD0D6B975CE2C11B88E
KEGG Ligand C13383
Mcule MCULE-5976787287
MolPort MolPort-001-783-761
Nikkaji J1.456G
PubChem 6374
PubChem: Thomson Pharma 14927850
SureChEMBL SCHEMBL59825
ZINC ZINC000006827595

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