ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL345248
CHEMBL345248
Compound Name BROMOFORM
ChEMBL Synonyms BROMOFORM
Max Phase 0
Trade Names
Molecular Formula CHBr3

Additional synonyms for CHEMBL345248 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrC(Br)Br
Standard InChI InChI=1S/CHBr3/c2-1(3)4/h1H
Standard InChI Key DIKBFYAXUHHXCS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL345248

Molecule Features

CHEMBL345248 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov BROMOFORM
The Cochrane Collaboration BROMOFORM

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
252.7 249.7628 2.45 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
- - 2.44 2.44 0 4 0.58

Structural Alerts

There are 7 structural alerts for CHEMBL345248. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIKBFYAXUHHXCS-UHFFFAOYSA-N
PubChem SID: 144207387 SID: 17389702
Wikipedia Bromoform

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL345248



ACToR 75-25-2 4471-18-5
Brenda 151026
ChEBI 38682
ChemicalBook CB8854218
DrugBank DB03054
DrugCentral 405
eMolecules 480733
EPA CompTox Dashboard DTXSID1021374
FDA SRS TUT9J99IMU
Human Metabolome Database HMDB0062089
IBM Patent System 0490A6D37C3D1DB89E31AB06406B68EC
KEGG Ligand C14707
MolPort MolPort-001-783-760
Nikkaji J1.446J
NMRShiftDB 10011077
PDBe MBR
PubChem 5558
PubChem: Thomson Pharma 15196798
SureChEMBL SCHEMBL18691
ZINC ZINC000008101061

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