DIHYDROSTREPTOMYCIN SULFATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII T7D4876IUE
EPA CompTox DTXSID6045824

Structure

InChI Key CZWJCQXZZJHHRH-YCRXJPFRSA-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](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChI
InChI=1S/2C21H41N7O12.3H2O4S/c2*1-5-21(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;3*1-5(2,3)4/h2*5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H88N14O36S3
Molecular Weight 1461.43
AlogP -7.95
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 9.0
Polar Surface Area 334.59
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78.79-99.04
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 78.79-99.04

Cross References

Resources Reference
ChEMBL CHEMBL3188576
FDA SRS T7D4876IUE
PubChem 21653
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