NOVOBIOCIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII Q9S9NQ5YIY
EPA CompTox DTXSID9023386

Structure

InChI Key WWPRGAYLRGSOSU-RNROJPEYSA-M
Smiles CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]
InChI
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H35N2NaO11
Molecular Weight 634.61
AlogP 3.63
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 200.01
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
DNA gyrase inhibitor INHIBITOR PubMed Wikipedia
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
- - - - 47.15-56.21
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 47.15-56.21

Cross References

Resources Reference
ChEBI 31924
ChEMBL CHEMBL3183453
FDA SRS Q9S9NQ5YIY
KEGG C12609
PubChem 23663939
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