butikacin   Click here for help

GtoPdb Ligand ID: 10766

Synonyms: UK-18,892 | UK-18892 | UK18892
Compound class: Synthetic organic
Comment: Butikacin (UK-18892) is a semisynthetic aminoglycoside class antibacterial [2]. It has activity against Gram-positive bacilli.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 17
Hydrogen bond donors 13
Rotatable bonds 11
Topological polar surface area 314.87
Molecular weight 571.31
XLogP -6.19
No. Lipinski's rules broken 3
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Canonical SMILES NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O
Isomeric SMILES NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O
InChI InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4592 butikacin
Synonyms Click here for help
UK-18,892 | UK-18892 | UK18892
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo UK-18892 (Butikacin)
Other databases
CAS Registry No. 59733-86-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL2304044
GtoPdb PubChem SID 405560207
PubChem CID 11954318
Search Google for chemical match using the InChIKey OCFOTEIMZBKQFS-DGMGPCKZSA-N
Search Google for chemicals with the same backbone OCFOTEIMZBKQFS
Search PubMed clinical trials butikacin
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UniChem Compound Search for chemical match using the InChIKey OCFOTEIMZBKQFS-DGMGPCKZSA-N
UniChem Connectivity Search for chemical match using the InChIKey OCFOTEIMZBKQFS-DGMGPCKZSA-N