FUSIDIC ACID

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D06AX01 D09AA02 J01XC01 S01AA13
UNII 59XE10C19C
EPA CompTox DTXSID0023086

Structure

InChI Key IECPWNUMDGFDKC-MZJAQBGESA-N
Smiles CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
InChI
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H48O6
Molecular Weight 516.72
AlogP 5.67
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 104.06
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Elongation factor G inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 39.52-58.34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 39.52-58.34

Cross References

Resources Reference
ChEBI 29013
ChEMBL CHEMBL374975
DrugBank DB02703
DrugCentral 1261
FDA SRS 59XE10C19C
Human Metabolome Database HMDB0015570
Guide to Pharmacology 10815
PDB FUA
PharmGKB PA164749648
PubChem 3000226
SureChEMBL SCHEMBL25646
ZINC ZINC000008143796
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