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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55076
CHEMBL55076
Compound Name MYRIOCIN
ChEMBL Synonyms Myriocin
Max Phase 0
Trade Names
Molecular Formula C21H39NO6

Additional synonyms for CHEMBL55076 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O
Standard InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-1 ...
Download InChI
Standard InChI Key ZZIKIHCNFWXKDY-GNTQXERDSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55076

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
401.5 401.2777 0.28 18 141.08 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.79 8.61 4.13 1.61 0 28 0.16

Structural Alerts

There are 11 structural alerts for CHEMBL55076. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZZIKIHCNFWXKDY-GNTQXERDSA-N
PubChem SID: 144205615 SID: 144206951 SID: 170466855 SID: 26756978 SID: 50111481
Wikipedia Myriocin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55076



ACToR 35891-70-4
Brenda 135554 135417
ChEBI 582124
eMolecules 591568 31240799
EPA CompTox Dashboard DTXSID9046360
FDA SRS YRM4E8R9ST
Guide to Pharmacology 6664
IBM Patent System 23DC6F30D791D26291C7597CFF5D8AB4
LipidMaps LMFA01060203
Metabolights MTBLC582124
MolPort MolPort-003-958-633
Nikkaji J19.020I
PubChem 6438394
PubChem: Drugs of the Future 87550945
PubChem: Thomson Pharma 14854821 14805891
SureChEMBL SCHEMBL6542261
ZINC ZINC000005782527

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