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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL290814
CHEMBL290814
Compound Name BAFILOMYCIN A1
ChEMBL Synonyms Bafilomycin A1
Max Phase 0
Trade Names
Molecular Formula C35H58O9

Additional synonyms for CHEMBL290814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1\C=C\C=C(/C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/ ...
Download SMILES
Standard InChI InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9) ...
Download InChI
Standard InChI Key XDHNQDDQEHDUTM-JQWOJBOSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL290814

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
622.8 622.4081 4.69 7 134.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 9 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.66 - 3.76 3.76 0 44 0.3

Structural Alerts

There are 4 structural alerts for CHEMBL290814. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XDHNQDDQEHDUTM-JQWOJBOSSA-N
Wikipedia Bafilomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL290814



BindingDB 50064186
Brenda 6127
ChEBI 22689
ChemicalBook CB3743951
DrugBank DB06733
LINCS LSM-44931
Mcule MCULE-2359469972
Metabolights MTBLC22689
MolPort MolPort-001-739-960
PubChem 6436223
PubChem: Thomson Pharma 16840716 14912215
SureChEMBL SCHEMBL13775181
ZINC ZINC000169647947

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