RIFAXIMIN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07AA11 D06AX11
UNII L36O5T016N
EPA CompTox DTXSID7045998

Structure

InChI Key NZCRJKRKKOLAOJ-XRCRFVBUSA-N
Smiles CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChI
InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H51N3O11
Molecular Weight 785.89
AlogP 6.16
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 198.38
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 57.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA-directed RNA polymerase inhibitor INHIBITOR DailyMed
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
- - - - 63.34-81.07
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 63.34-81.07
Escherichia coli ETEC H10407
- - - - 33-95.5

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Romania

Cross References

Resources Reference
ChEBI 75246
ChEMBL CHEMBL1617
DrugBank DB01220
DrugCentral 2379
FDA SRS L36O5T016N
KEGG D02554
PDB RXM
PharmGKB PA164752443
PubChem 6436173
SureChEMBL SCHEMBL124066
ZINC ZINC000169621200
CONTENTS