Structure

InChI Key JRNIHERUNQWMMW-WBYAVNBMSA-N
Smile CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.O
InChI
InChI=1S/C22H24N2O8.C2H6O.ClH.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;1H;1H2/t7-,10+,14+,15-,17-,22-;;;/m0.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H58Cl2N4O18
Molecular Weight 1025.89
AlogP -0.35
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 78.1
Unclassified protein
- - - - 78.1

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Periodontitis 3 D010518 ClinicalTrials
Chlamydia Infections 3 D002690 ClinicalTrials
Rosacea 3 D012393 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Graves Ophthalmopathy 2 D049970 ClinicalTrials
Telangiectasia, Hereditary Hemorrhagic 2 D013683 ClinicalTrials
Tennis Elbow 1 D013716 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
14.19
Immune system disorders
12.16
General disorders and administration site conditions
11.67
Skin and subcutaneous tissue disorders
10.54
Nervous system disorders
8.34
Injury, poisoning and procedural complications
5.4
Psychiatric disorders
4.78
Vascular disorders
4.07
Respiratory, thoracic and mediastinal disorders
4.05
Cardiac disorders
3.73
Musculoskeletal and connective tissue disorders
3.25
Infections and infestations
3.05
Investigations
2.37
Eye disorders
2.24

Cross References

Resources Reference
ChEBI 34730
ChEMBL CHEMBL3989740
EPA CompTox DTXSID4041020
FDA SRS 19XTS3T51U
KEGG C06973
PDB DXT
SureChEMBL SCHEMBL40929
ZINC ZINC16052277