FRAMYCETIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D09AA01 R01AX08 S01AA07
UNII 4BOC774388
EPA CompTox DTXSID2023359

Structure

InChI Key PGBHMTALBVVCIT-VCIWKGPPSA-N
Smiles NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H46N6O13
Molecular Weight 614.65
AlogP -8.9
Hydrogen Bond Acceptor 19.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 9.0
Polar Surface Area 353.11
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - 500 -
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 400 - - -
Other cytosolic protein
- 32 180 - -
Unclassified protein
- 32 100-370 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus anthracis
- - - 500 -
Bacteria
- - 5 - -
Escherichia coli
- 32-87 1-320 - 20
Homo sapiens
- 76-400 100-160 - 10-10
Human immunodeficiency virus 1
- 417 - - -
Mus musculus
- - - - 20
Pseudomonas aeruginosa
- - - - 40-40
Rattus norvegicus
- 7.9 - - -
Staphylococcus aureus
- 9-50 - - 76-100

Related Entries

Cross References

Resources Reference
ChEBI 7508
ChEMBL CHEMBL184618
DrugBank DB00452
DrugCentral 1896
FDA SRS 4BOC774388
Human Metabolome Database HMDB0015129
Guide to Pharmacology 709
KEGG C01737
PDB NMY
PharmGKB PA164743181
PubChem 8378
SureChEMBL SCHEMBL3279
ZINC ZINC000071928291
CONTENTS