ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274119
CHEMBL274119
Compound Name RACEMETHIONINE
ChEMBL Synonyms DL-METHIONINE | RACEMETHIONINE | METHIONINE | PEDAMETH
Max Phase 0
Trade Names
Molecular Formula C5H11NO2S

Additional synonyms for CHEMBL274119 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSCCC(N)C(=O)O
Standard InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8 ...
Download InChI
Standard InChI Key FFEARJCKVFRZRR-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL274119

Molecule Features

CHEMBL274119 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov RACEMETHIONINE
The Cochrane Collaboration RACEMETHIONINE

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
149.2 149.051 0.15 4 63.32 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.23 9.4 .22 -2.29 0 9 0.6

Structural Alerts

There are 2 structural alerts for CHEMBL274119. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFEARJCKVFRZRR-UHFFFAOYSA-N
PubChem SID: 144205216

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274119



ACToR 59-51-8 7005-18-7 348-67-4 63-68-3
BindingDB 86195
Brenda 126787 56962 4520 75862
ChEBI 16811 64558
ChemicalBook CB6208758 CB9208759
DrugBank DB13972
eMolecules 495925
EPA CompTox Dashboard DTXSID9020821
Human Metabolome Database HMDB0033951
IBM Patent System 1CE3D82BA3161A7F5344C1A726EB3D29
KEGG Ligand C01733
Mcule MCULE-5626142345
Metabolights MTBLC64558 MTBLC16811
MolPort MolPort-000-928-154
Nikkaji J1.286F
NMRShiftDB 30000100
PubChem 5255805 876
PubChem: Thomson Pharma 15146825
Rhea 64558
SureChEMBL SCHEMBL4225

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