retapamulin   Click here for help

GtoPdb Ligand ID: 11035

Synonyms: Altabax® | Altargo® | SB-275833 | SB275833
Approved drug
retapamulin is an approved drug (FDA (2007))
Compound class: Synthetic organic
Comment: Retapamulin is a pleuromutilin antibiotic [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 92.14
Molecular weight 517.32
XLogP 5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
Isomeric SMILES C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
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
InChI Key STZYTFJPGGDRJD-FJJJPKKESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2007))
International Nonproprietary Names Click here for help
INN number INN
8494 retapamulin
Synonyms Click here for help
Altabax® | Altargo® | SB-275833 | SB275833
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1500
Other databases
CAS Registry No. 224452-66-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL1658
DrugBank Ligand DB01256
GtoPdb PubChem SID 405560476
PubChem CID 6918462
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