GENTAMICIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
ATC D06AX07 J01GB03 S01AA11 S02AA14 S03AA06
UNII T6Z9V48IKG
EPA CompTox DTXSID5034642

Structure

InChI Key NPEFREDMMVQEPL-RWPARATISA-N
Smiles CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
InChI
InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m110/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C60H123N15O21
Molecular Weight 1390.73

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 19-64
Other cytosolic protein
- 28 - - -
Unclassified protein
- 28 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 20-400 - - 31-31
Escherichia coli B
- 28 - - -
Euplotes aediculatus
- - - - 0
Homo sapiens
- - - - 19-64
Pseudomonas aeruginosa
- - - - 35-35
Salmonella enterica subsp. enterica serovar Typhi
- - - - 30-30
Staphylococcus aureus
- 10 - - 34-34
Tetrahymena thermophila
- - - - 0-0

Cross References

Resources Reference
CAS NUMBER 1403-66-3
ChEMBL CHEMBL3039597
FDA SRS T6Z9V48IKG
Guide to Pharmacology 2427
CONTENTS