NETILMICIN

Search structure
Synonyms:
Status: Approved (1983)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01GB07
UNII: 4O5J85GJJB

Structure
InChI Key CIDUJQMULVCIBT-MQDUPKMGSA-N
Smile 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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

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