GENTAMICIN

Search structure
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D06AX07
UNII: T6Z9V48IKG

Structure
InChI Key NPEFREDMMVQEPL-RWPARATISA-N
Smile CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)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
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 18000 - - -
Enzyme Transferase
- - - - 19-64
Other cytosolic protein
- 28 - - -
Unclassified protein
- 28 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sepsis 3 D018805 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Cat-Scratch Disease 3 D002372 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Eczema 3 D004485 ClinicalTrials
Plague 2 D010930 ClinicalTrials
Leishmaniasis 2 D007896 ClinicalTrials
Leishmaniasis, Cutaneous 2 D016773 ClinicalTrials
Meniere Disease 2 D008575 ClinicalTrials
Folliculitis 2 D005499 ClinicalTrials
Diabetic Foot 2 D017719 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Chorioamnionitis 2 D002821 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Muscular Dystrophy, Duchenne 1 D020388 ClinicalTrials
Pneumonia, Ventilator-Associated 1 D053717 ClinicalTrials
Epidermolysis Bullosa Dystrophica 1 D016108 ClinicalTrials
Dermatitis, Atopic 1 D003876 ClinicalTrials
Muscular Dystrophy, Duchenne 1 D020388 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

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