PAROMOMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A07AA06
UNII 61JJC8N5ZK
EPA CompTox DTXSID8023424

Structure

InChI Key UOZODPSAJZTQNH-LSWIJEOBSA-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](CO)[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/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/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 C23H45N5O14
Molecular Weight 615.63
AlogP -8.86
Hydrogen Bond Acceptor 19.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 9.0
Polar Surface Area 347.32
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 29-60
Other cytosolic protein
- 38 - - 80
Unclassified protein
- 38 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cryptosporidium parvum
- 711 - - 40
Escherichia coli
- 56 5-200 - -
Euplotes aediculatus
- - - - 0
Homo sapiens
- - 440 - 29-60
Leishmania donovani
- - - - 46-123.92
Mus musculus
- - - - 4
Mycobacterium smegmatis
- 38 - - -
Streptomyces coelicolor
- - - - 80
Tetrahymena thermophila
- - - - 0-0

Related Entries

Cross References

Resources Reference
ChEBI 7934
ChEMBL CHEMBL370143
DrugBank DB01421
DrugCentral 2067
FDA SRS 61JJC8N5ZK
Human Metabolome Database HMDB0015490
KEGG C00832
PDB PAR
PharmGKB PA164784023
PubChem 165580
SureChEMBL SCHEMBL4072
ZINC ZINC000060183170
CONTENTS