STREPTOMYCIN

Search structure
Synonyms:
Status: Approved (1946)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A07AA04
UNII: Y45QSO73OB

Structure
InChI Key UCSJYZPVAKXKNQ-HZYVHMACSA-N
Smile CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)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 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mycobacterium avium-intracellulare Infection 2 D015270 ClinicalTrials
Buruli Ulcer 2 D054312 ClinicalTrials
Plague 2 D010930 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 57-92-1
ChEBI 17076
ChEMBL CHEMBL372795
DrugBank DB01082
DrugCentral 2481
EPA CompTox DTXSID4023597
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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