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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42336
CHEMBL42336
Compound Name METHIONINE
ChEMBL Synonyms Nestone | Meonine | METHIONINE | Methilanin | Racemethionine | L-METHIONINE | METHIONINE C 11
Max Phase 3
Trade Names
Molecular Formula C5H11NO2S

Additional synonyms for CHEMBL42336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSCC[C@H](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-BYPYZUCNSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL42336

Molecule Features

CHEMBL42336 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
ABDOMINAL PAIND015746HP:0002027ABDOMINAL PAIN1
CARCINOMA, HEPATOCELLULARD006528EFO:0000182HEPATOCELLULAR CARCINOMA1
LIVER DISEASESD008107EFO:0001421LIVER DISEASE3

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 -2.83 4 88.61 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 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 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL42336. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB26 - methionine

ChemSpider ChemSpider:FFEARJCKVFRZRR-BYPYZUCNSA-N
Wikipedia Methionine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42336



ACToR 33807-07-7 26062-47-5 58576-49-1 24425-78-3 3654-96-4
Atlas methionine
BindingDB 50142500
ChEBI 57844 16643
DrugBank DB00134
eMolecules 514491
EPA CompTox Dashboard DTXSID5040548
FDA SRS AE28F7PNPL
Guide to Pharmacology 4814
Human Metabolome Database HMDB00696
IBM Patent System 213D79058D93485ACE44E58CAD8BD912
KEGG Ligand C00073
Mcule MCULE-7228063662 MCULE-3383932641
Nikkaji J9.174J
PDBe MET
PubChem 6137 6992087
PubChem: Thomson Pharma 14772273
Recon met_L
SureChEMBL SCHEMBL4226
ZINC ZINC01532529

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