STREPTOMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A07AA04 J01GA01
UNII Y45QSO73OB
EPA CompTox DTXSID4023597

Structure

InChI Key UCSJYZPVAKXKNQ-HZYVHMACSA-N
Smiles CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
InChI
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H39N7O12
Molecular Weight 581.58
AlogP -8.16
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 9.0
Polar Surface Area 336.43
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - 100 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - - - 64
Escherichia coli
- - - - 64
Klebsiella pneumoniae
- - - - 64
Mycobacterium smegmatis
- 480-500 - - -
Mycobacterium tuberculosis H37Rv
- - - - 100
Pseudomonas aeruginosa
- - - - 64
Staphylococcus aureus
- - - - 43-95

Related Entries

Cross References

Resources Reference
ChEBI 17076
ChEMBL CHEMBL372795
DrugBank DB01082
DrugCentral 2481
FDA SRS Y45QSO73OB
Human Metabolome Database HMDB0015214
Guide to Pharmacology 10923
KEGG C00413
PDB SRY
PharmGKB PA451512
PubChem 19649
SureChEMBL SCHEMBL3276
ZINC ZINC000008214681
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