Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL293078

BAFILOMYCIN G
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293078
Name BAFILOMYCIN G
Phase Preclinical
Structure Type MOL
InChI Key SFLNWFBBCTZPBV-DCOOOOFJSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

636.9
MW (Da)
5.35
ALogP
9
HBA
3
HBD
123.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H60O9
MW 636.87
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 2.84

Activity Summary

IC50 2 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SMMC-7721
CHEMBL613831
 IC50 5.06 5.06 8670.0 1
BGC-823
CHEMBL614526
 IC50 4.16 4.16 69200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SMMC-7721 IC50 = 8670.0 nM 5.06 Cytotoxicity against human SMMC7721 cells assessed as reduction in cell viabilit... 26933756
BGC-823 IC50 = 69200.0 nM 4.16 Cytotoxicity against human BGC823 cells assessed as reduction in cell viability ... 26933756

Literature References

PubMed DOI Target Context # Activities
20028134 10.1021/np900632r MCF7 4
9599238 10.1021/jm9707838 V-type proton ATPase subunit S1 1
9599238 10.1021/jm9707838 V-type proton ATPase subunit B, brain isoform 1
26933756 10.1021/acs.jnatprod.5b00827 BGC-823 1
26933756 10.1021/acs.jnatprod.5b00827 Caco-2 1
26933756 10.1021/acs.jnatprod.5b00827 NCI-H460 1
26933756 10.1021/acs.jnatprod.5b00827 SMMC-7721 1
26933756 10.1021/acs.jnatprod.5b00827 Bacillus spizizenii 1
26933756 10.1021/acs.jnatprod.5b00827 Staphylococcus aureus 1
26933756 10.1021/acs.jnatprod.5b00827 Escherichia coli 1
26933756 10.1021/acs.jnatprod.5b00827 Candida albicans 1
26933756 10.1021/acs.jnatprod.5b00827 Candida parapsilosis 1
26933756 10.1021/acs.jnatprod.5b00827 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine