MOXALACTAM DISODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5APW73W3QZ
EPA CompTox DTXSID0045595

Structure

InChI Key GRIXGZQULWMCLU-HUTAOCTPSA-L
Smiles CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]
InChI
InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18N6Na2O9S
Molecular Weight 564.44
AlogP -1.13
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 206.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR ISBN ISBN 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
- - - - 87.94-92.91
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 87.94-92.91

Cross References

Resources Reference
ChEMBL CHEMBL1200357
FDA SRS 5APW73W3QZ
SureChEMBL SCHEMBL49015
CONTENTS