RETAPAMULIN

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Synonyms
Status
Molecule Category Free-form
ATC D06AX13
UNII 4MG6O8991R

Structure

InChI Key STZYTFJPGGDRJD-NHUWBDDWSA-N
Smiles C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
InChI
InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H47NO4S
Molecular Weight 517.78
AlogP 5.25
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 66.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
70S ribosome inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - 2 - -
Wolbachia
91 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1658
DrugBank DB01256
DrugCentral 2371
FDA SRS 4MG6O8991R
PDB G34
ZINC ZINC000100013500
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