RETAPAMULIN

Search structure
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D06AX13
UNII: 4MG6O8991R

Structure
InChI Key STZYTFJPGGDRJD-NHUWBDDWSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR 70S ribosome inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Staphylococcal Infections 2 D013203 ClinicalTrials

Related Entries

Scaffolds

Cross References

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