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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43068
CHEMBL43068
Compound Name VALINE
ChEMBL Synonyms Valine | L-Valine
Max Phase 0
Trade Names
Molecular Formula C5H11NO2

Additional synonyms for CHEMBL43068 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](N)C(=O)O
Standard InChI InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t ...
Download InChI
Standard InChI Key KZSNJWFQEVHDMF-BYPYZUCNSA-N

Molecule Features

CHEMBL43068 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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL43068

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
117.2 117.079 -2.32 0 2 No Yes ZWITTERION


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
2.37 10.21 .29 -2.21 0 8 0 0.43

Compound Cross References

ChemSpider ChemSpider:KZSNJWFQEVHDMF-BYPYZUCNSA-N
Wikipedia Valine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43068



DrugBank DB00161
PDBe VAL
KEGG Ligand C00183
ChEBI 16414 57762
ZINC ZINC00895099
eMolecules 514495
IBM Patent System 5D0EB24B2C7103B0FFF5208685987887 69203BA1B846EB91E03007985DAEDA3C
FDA SRS HG18B9YRS7
Human Metabolome Database HMDB00883
PubChem: Thomson Pharma 15218854 15119814
PubChem 6287 6971018
Mcule MCULE-2507309072 MCULE-9143825935

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