RIFAMYCIN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07AA13 D06AX15 J04AB03 S01AA16 S02AA12
UNII DU69T8ZZPA
EPA CompTox DTXSID1032014

Structure

InChI Key HJYYPODYNSCCOU-ODRIEIDWSA-N
Smiles CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)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/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H47NO12
Molecular Weight 697.78
AlogP 4.75
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 201.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 50.0

Pharmacology

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
- - - - 74.8-101.4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 8.6 - - -
Homo sapiens
- - - - 74.8-101.4

Related Entries

Cross References

Resources Reference
ChEBI 29673
ChEMBL CHEMBL437765
DrugBank DB11753
DrugCentral 4817
FDA SRS DU69T8ZZPA
Guide to Pharmacology 4570
KEGG C12044
PubChem 6324616
SureChEMBL SCHEMBL151824
ZINC ZINC000169633673
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