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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284328
CHEMBL284328
Compound Name HOMIDIUM BROMIDE
ChEMBL Synonyms Ethidium Bromide | Homidium Bromide
Max Phase 0
Trade Names
Molecular Formula C21H20BrN3

Additional synonyms for CHEMBL284328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14
Standard InChI InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8 ...
Download InChI
Standard InChI Key ZMMJGEGLRURXTF-UHFFFAOYSA-N

Molecule Features

CHEMBL284328 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

Structural Alerts

There are 9 structural alerts for CHEMBL284328. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL284328

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 CHEMBL284328. 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
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.429
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.239
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.230

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.986
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.372

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
314.4 314.1657 4.21 2 55.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.67 -.6 -.6 4 24 0.33

Compound Cross References

ChemSpider ChemSpider:ZMMJGEGLRURXTF-UHFFFAOYSA-N
PubChem SID: 144204674 SID: 144204963 SID: 144209709 SID: 170466062 SID: 17389015 SID: 26748838 SID: 570242 SID: 92764758
Wikipedia Ethidium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284328



ACToR 1239-45-8
ChEBI 4883
eMolecules 510762
FDA SRS 059NUO2Z1L
KEGG Ligand C11161
Mcule MCULE-8684380812
MolPort MolPort-003-666-501
PubChem 53630235 14710
PubChem: Thomson Pharma 14756677
SureChEMBL SCHEMBL20520

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