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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL48339
CHEMBL48339
Compound Name BROMOMETHANE
ChEMBL Synonyms Bromomethane
Max Phase 0
Trade Names
Molecular Formula CH3Br

Additional synonyms for CHEMBL48339 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CBr
Standard InChI InChI=1S/CH3Br/c1-2/h1H3
Standard InChI Key GZUXJHMPEANEGY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL48339

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
94.9 93.9418 0.99 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
- - 1.3 1.3 0 2 0.39

Structural Alerts

There are 4 structural alerts for CHEMBL48339. To view alerts please click here.

Compound Cross References

IRAC M - MISCELLANEOUS
M8 - MISCELLANEOUS NONSPECIFIC (MULTI-SITE) INHIBITORS
M88A - ALKYL HALIDES
M88A1 - METHYL BROMIDE
ChemSpider ChemSpider:GZUXJHMPEANEGY-UHFFFAOYSA-N
Wikipedia Bromomethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL48339



ACToR 8004-09-9 74-83-9
Brenda 105662 36365 12461
ChEBI 39275
eMolecules 495571
EPA CompTox Dashboard DTXSID8020832
FDA SRS 9V42E1Z7B6
Human Metabolome Database HMDB0031524
KEGG Ligand C18447
Mcule MCULE-1876139964
Metabolights MTBLC39275
MolPort MolPort-001-785-828
Nikkaji J895.767C J1.245.460K J2.381G
NMRShiftDB 20028918
PDBe BMM
PubChem 6323
PubChem: Thomson Pharma 15218697
Rhea 39275
SureChEMBL SCHEMBL1744

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