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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL523761
CHEMBL523761
Compound Name HYACINTHACINE B4
ChEMBL Synonyms Hyacinthacine B4
Max Phase 0
Trade Names
Molecular Formula C9H17NO4

Additional synonyms for CHEMBL523761 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12
Standard InChI InChI=1S/C9H17NO4/c1-4-2-6(12)7-9(14)8(13)5(3-11)10(4)7/h4-9 ...
Download InChI
Standard InChI Key PIBHCJDPQRCONN-FJYMVOSHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL523761

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
203.2 203.1158 -2.09 1 84.16 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.81 7.24 .07 -.45 0 14 0.39

Structural Alerts

There are no structural alerts for CHEMBL523761

Compound Cross References

ChemSpider ChemSpider:PIBHCJDPQRCONN-FJYMVOSHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL523761



BindingDB 50278884
Nikkaji J1.854.321D
PubChem 10976560
PubChem: Thomson Pharma 16033526
ZINC ZINC000034585952

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