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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

Structural Alerts

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

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

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
ChEBI 582124
eMolecules 591568 31240799
FDA SRS YRM4E8R9ST
Guide to Pharmacology 6664
IBM Patent System 23DC6F30D791D26291C7597CFF5D8AB4
Nikkaji J19.020I
PubChem 6438394
PubChem: Drugs of the Future 87550945
PubChem: Thomson Pharma 14854821 14805891
SureChEMBL SCHEMBL6542261
ZINC ZINC05782527

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