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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL211670
CHEMBL211670
Compound Name
ChEMBL Synonyms D-Dopa
Max Phase 0
Trade Names
Molecular Formula C9H11NO4

Additional synonyms for CHEMBL211670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Standard InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4 ...
Download InChI
Standard InChI Key WTDRDQBEARUVNC-ZCFIWIBFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL211670

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
197.2 197.0688 0.05 3 103.78 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.24 8.85 -1.15 -3.67 1 14 0.51

Structural Alerts

There are 3 structural alerts for CHEMBL211670. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WTDRDQBEARUVNC-ZCFIWIBFSA-N
PubChem SID: 124881996 SID: 26753565 SID: 50106235 SID: 50106236 SID: 85231333

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL211670



ACToR 5796-17-8
Brenda 11293 144441 1513
ChEBI 49169
eMolecules 502820
EPA CompTox Dashboard DTXSID70206673
FDA SRS 8T862R29FY
IBM Patent System F7F13F5B0580385330BA1A436E567CAF
Mcule MCULE-2909167188
Metabolights MTBLC49169
MolPort MolPort-003-847-017
Nikkaji J218.056A
PubChem 6989908 92222
PubChem: Thomson Pharma 16263790
SureChEMBL SCHEMBL342665
ZINC ZINC000001506908

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