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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8085
CHEMBL8085
Compound Name LYSINE
ChEMBL Synonyms LYSINE
Max Phase 3
Trade Names
Molecular Formula C6H14N2O2

Additional synonyms for CHEMBL8085 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](N)C(=O)O
Standard InChI InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9, ...
Download InChI
Standard InChI Key KDXKERNSBIXSRK-YFKPBYRVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL8085

Molecule Features

CHEMBL8085 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 References
Nutrition DisordersD009748EFO:0001069nutritional disorder2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus1ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction2ClinicalTrials
Prediabetic StateD011236EFO:1001121prediabetes syndrome1ClinicalTrials

Clinical Data

ClinicalTrials.gov LYSINE
The Cochrane Collaboration LYSINE

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
146.2 146.1055 -0.47 5 89.34 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 10.64 -.73 -4.2 0 10 0.46

Structural Alerts

There are 3 structural alerts for CHEMBL8085. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05X - I.V. SOLUTION ADDITIVES
B05XB - Amino acids
B05XB03 - lysine

ChemSpider ChemSpider:KDXKERNSBIXSRK-YFKPBYRVSA-N
PubChem SID: 29218054

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8085



ACToR 20166-34-1 280114-50-3 25104-18-1 26714-32-9 12798-06-0
BindingDB 217367
Brenda 6887 145943 145031 156607 35486 134 1107 502 111041 649 106418 88205 106417 171012 134287
ChEBI 133538 18019
ChemicalBook CB4492106
DrugBank DB00123
DrugCentral 1622
eMolecules 524855
EPA CompTox Dashboard DTXSID6023232
FDA SRS K3Z4F929H6
Guide to Pharmacology 724
Human Metabolome Database HMDB0003405 HMDB0000182
IBM Patent System 86E265F33AC768F908A94C6624685A82
KEGG Ligand C00047
Mcule MCULE-1814780282 MCULE-3226089160
Metabolights MTBLC133538 MTBLC18019
MolPort MolPort-001-792-388
Nikkaji J9.176F
PharmGKB PA450280
PubChem 5962 122198194
PubChem: Thomson Pharma 15219170 15321566
SureChEMBL SCHEMBL1646
ZINC ZINC000001532522

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