Structure

InChI Key HIBICIOPDUTNRR-XTHCGPPUSA-N
Smile NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O
InChI
InChI=1S/C22H43N5O13.H2O4S/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H47N5O21S2
Molecular Weight 781.77
AlogP -8.42
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 10.0
Polar Surface Area 331.94
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia, Bacterial 2 D018410 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
25.19
Nervous system disorders
11.51
General disorders and administration site conditions
8.27
Cardiac disorders
8.22
Psychiatric disorders
7.66
Gastrointestinal disorders
6.76
Injury, poisoning and procedural complications
6.34
Vascular disorders
3.96
Investigations
3.1
Infections and infestations
3.08
Ear and labyrinth disorders
3.01
Skin and subcutaneous tissue disorders
2.58
Immune system disorders
2.09

Cross References

Resources Reference
ChEBI 2638
ChEMBL CHEMBL4208954
FDA SRS N6M33094FD
PubChem 38351
SureChEMBL SCHEMBL65203