MORICIZINE

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Synonyms
Status
Molecule Category Free-form
UNII 2GT1D0TMX1
EPA CompTox DTXSID4023335

Structure

InChI Key FUBVWMNBEHXPSU-UHFFFAOYSA-N
Smiles CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2
InChI
InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O4S
Molecular Weight 427.53
AlogP 4.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 71.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter
- - - - 23.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus
- - - - 23.7

Cross References

Resources Reference
ChEBI 6997
ChEMBL CHEMBL1075
DrugBank DB00680
DrugCentral 1842
FDA SRS 2GT1D0TMX1
Human Metabolome Database HMDB0014818
Guide to Pharmacology 7244
KEGG C07743
PharmGKB PA164747738
PubChem 34633
SureChEMBL SCHEMBL16794
ZINC ZINC000019340795
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