NETILMICIN

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Synonyms
Status
Molecule Category Free-form
ATC J01GB07 S01AA23
UNII 4O5J85GJJB

Structure

InChI Key CIDUJQMULVCIBT-MQDUPKMGSA-N
Smiles CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
InChI
InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H41N5O7
Molecular Weight 475.59
AlogP -3.2
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 8.0
Polar Surface Area 199.73
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 20 - - -
Unclassified protein
- 20 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 700 - - -
Human immunodeficiency virus 1
- - - - 81
Mycobacterium smegmatis
- 20 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1572
DrugBank DB00955
DrugCentral 1903
FDA SRS 4O5J85GJJB
KEGG C07657
PharmGKB PA164754913
PubChem 441306
SureChEMBL SCHEMBL18763322
ZINC ZINC000052981502
CONTENTS