Structure

InChI Key OOYGSFOGFJDDHP-KMCOLRRFSA-N
Smile NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
InChI
InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H38N4O15S
Molecular Weight 582.58
AlogP -7.29
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 6.0
Polar Surface Area 282.61
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
26.92
Gastrointestinal disorders
19.23
Infections and infestations
15.38
Nervous system disorders
7.69
Psychiatric disorders
7.69
Respiratory, thoracic and mediastinal disorders
7.69
Cardiac disorders
3.85
Musculoskeletal and connective tissue disorders
3.85
Skin and subcutaneous tissue disorders
3.85
Vascular disorders
3.85

Cross References

Resources Reference
ChEBI 6109
ChEMBL CHEMBL1446
EPA CompTox DTXSID1047524
FDA SRS J80EX28SMQ
KEGG C08046
SureChEMBL SCHEMBL65538