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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2023796
CHEMBL2023796
Compound Name VERACEVINE
ChEMBL Synonyms Veracevine
Max Phase 0
Trade Names
Molecular Formula C27H43NO8

Additional synonyms for CHEMBL2023796 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@]56O[C@]7(O)[C@@H](O ...
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Standard InChI InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11 ...
Download InChI
Standard InChI Key MZHXYVMEVBEFAL-XXFAKQOHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2023796

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
509.6 509.2989 -1.25 0 154.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 2 9 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 7.14 .07 -.12 0 36 0.21

Structural Alerts

There are 1 structural alerts for CHEMBL2023796. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MZHXYVMEVBEFAL-XXFAKQOHSA-N
Wikipedia Veracevine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2023796



ChEBI 9947
FDA SRS U3QTV3Z77R
KEGG Ligand C10828
Metabolights MTBLC9947
PubChem 442986
SureChEMBL SCHEMBL3745394
ZINC ZINC000008234363

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