MOXALACTAM

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VUF6C936Z3

Structure
InChI Key JWCSIUVGFCSJCK-CAVRMKNVSA-N
Smile CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21
InChI
InChI=1S/C20H20N6O9S/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)/t12?,18-,20+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20N6O9S
Molecular Weight 520.48
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 12000000-12300000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 599928
ChEMBL CHEMBL74632
DrugBank DB04570
DrugCentral 1851
EPA CompTox DTXSID9023338
FDA SRS VUF6C936Z3
Human Metabolome Database HMDB15574
KEGG C07231
PharmGKB PA164743144
PubChem 47499
SureChEMBL SCHEMBL194012
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