SPIRAMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01FA02
UNII 033ECH6IFG

Structure

InChI Key ACTOXUHEUCPTEW-CEUOBAOPSA-N
Smiles CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
InChI
InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H74N2O14
Molecular Weight 843.06
AlogP 2.33
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 195.38
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 59.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome 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
- - - - 64.77-86.18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 64.77-86.18

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Vietnam

Cross References

Resources Reference
ChEMBL CHEMBL453514
DrugCentral 2471
FDA SRS 033ECH6IFG
PDB SPR
ZINC ZINC000257373089
CONTENTS