OMADACYCLINE TOSYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5658Y89YCD
Parent Compound: OMADACYCLINE

Structure
InChI Key SETFNHZTVGTBHC-XGLFQKEBSA-N
Smile CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1
InChI
InChI=1S/C29H40N4O7.C7H8O3S/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;1-6-2-4-7(5-3-6)11(8,9)10/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39);2-5H,1H3,(H,8,9,10)/t13-,16-,21-,29-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H48N4O10S
Molecular Weight 728.87
AlogP 1.32
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 176.66
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 40.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Skin Diseases, Bacterial 4 D017192 FDA
Pneumonia, Bacterial 4 D018410 FDA
Infections 3 D007239 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
37.5
Skin and subcutaneous tissue disorders
37.5
Respiratory, thoracic and mediastinal disorders
25.0

Cross References

Resources Reference
ChEMBL CHEMBL2103854
FDA SRS 5658Y89YCD
PubChem 54746485
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