arbekacin   Click here for help

GtoPdb Ligand ID: 7345

Synonyms: arbekacin sulfate | habekacin | ME1100 | NPC-14
Approved drug PDB Ligand
arbekacin is an approved drug
Compound class: Synthetic organic
Comment: Arbekacin is a semisynthetic aminoglycoside antibacterial compound that was originally derived from dibekacin [1]. It has activity against both Gram-positive and Gram-negative bacteria [3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 16
Hydrogen bond donors 11
Rotatable bonds 11
Topological polar surface area 297.27
Molecular weight 552.31
XLogP -5.86
No. Lipinski's rules broken 2
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Isomeric SMILES NCC[C@@H](C(=O)N[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)CC[C@H]1N)O
InChI InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5914 arbekacin
Synonyms Click here for help
arbekacin sulfate | habekacin | ME1100 | NPC-14
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Arbekacin, ME1100
Other databases
CAS Registry No. 51025-85-5 (source: Scifinder)
ChEMBL Ligand CHEMBL426926
DrugBank Ligand DB06696
DrugCentral Ligand 235
GtoPdb PubChem SID 178103917
PubChem CID 68682
RCSB PDB Ligand 84G
Search Google for chemical match using the InChIKey MKKYBZZTJQGVCD-XTCKQBCOSA-N
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UniChem Compound Search for chemical match using the InChIKey MKKYBZZTJQGVCD-XTCKQBCOSA-N
UniChem Connectivity Search for chemical match using the InChIKey MKKYBZZTJQGVCD-XTCKQBCOSA-N
Wikipedia Arbekacin