AMIKACIN

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Synonyms
Status
Molecule Category Free-form
ATC D06AX12 J01GB06 S01AA21
UNII 84319SGC3C
EPA CompTox DTXSID3022586

Structure

InChI Key LKCWBDHBTVXHDL-RMDFUYIESA-N
Smiles NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
InChI
InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H43N5O13
Molecular Weight 585.61
AlogP -8.42
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 10.0
Polar Surface Area 331.94
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 25
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 70 - - -
Euplotes aediculatus
- - - - 0
Homo sapiens
- - - - 25
Mycobacterium tuberculosis
- 70 - - 30
Mycobacterium tuberculosis H37Rv
70-120 70-102 - - 79.8-98
Staphylococcus aureus
- 160 - - 43-85
Tetrahymena thermophila
- - - - 0-0

Related Entries

Cross References

Resources Reference
ChEBI 2637
ChEMBL CHEMBL177
DrugBank DB00479
DrugCentral 157
FDA SRS 84319SGC3C
Human Metabolome Database HMDB0014622
Guide to Pharmacology 10894
KEGG C06820
PDB AKN
PharmGKB PA164744372
PubChem 37768
SureChEMBL SCHEMBL2985
ZINC ZINC000008214483
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