Omadacycline (CED0007024)

Record Information
Version1.0
Creation Date2026-04-05 12:00:44 UTC
Update Date2026-08-22 09:14:56 UTC
Accession NumberCHEM100891
Identification
Common NameOmadacycline
ClassSmall Molecule
Description
Omadacycline belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 556.66 g/mol, Omadacycline is a heavy molecule. It has the chemical formula C29H40N4O7. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Tetracyclines). Recorded exposure routes for this substance include intravenous and oral administration. Omadacycline acts on five recorded protein targets. It functions as an inhibitor of the small ribosomal subunit protein uS3 (rpsC), small ribosomal subunit protein uS7 (rpsG), small ribosomal subunit protein uS8 (rpsH), and small ribosomal subunit protein uS19 (rpsS), in addition to one other protein.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC29H40N4O7
Average Molecular Mass556.660 g/mol
Monoisotopic Mass556.290 g/mol
CAS Registry Number389139-89-3
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12CC3=C(C=C(CNCC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
InChI IdentifierInChI=1S/C29H40N4O7/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/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1
InChI KeyJEECQCWWSTZDCK-IQZGDKDPSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ab9-0000390000-b8824099ab4256ec4718Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0kmi-0011960000-8f99ac7a3f6f46dbcd7bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pbi-2147900000-ff745f24e44e01cac3c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-1000190000-5a3c18bc55e365fc358cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dr-2100790000-d2e088bf27189d0f6d41Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9002100000-330d75bb0e6358f48a7bNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1394.0Log mg/kg[780:2500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
338TetracyclinesHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
3 pathways
Omadacycline Action Pathway
Omadacycline Action Pathway
Omadacycline Drug Metabolism Action Pathway
Omadacycline Drug Metabolism Action Pathway
Omadacycline Predicted Metabolism Pathway
Omadacycline Predicted Metabolism Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMultidrug transporter MdfAP0AEY8Escherichia coli K-12Predicted (SEA)0.622794
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)214.319
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)211.672
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)1127.41
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)323.308
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)423.889
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)4077.59
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)3234.79
DNA repair protein RAD52 homolog structureClick to view 3D structureDNA repair protein RAD52 homologP43351HumansPredicted (SEA)353.435
NAD-dependent protein deacylase sirtuin-5, mitochondrial structureClick to view 3D structureNAD-dependent protein deacylase sirtuin-5, mitochondrialQ9NXA8HumansPredicted (SEA)360.675
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7723.65
Click to view 3D structureGamma-secretase-activating proteinA4D1B5HumansPredicted (SEA)485.546
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)7544.91
Click to view 3D structureIsoleucyl-tRNA synthetaseO35880Rattus norvegicusPredicted (SEA)76.3701
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)7651.64
DNA topoisomerase 2-alpha structureClick to view 3D structureDNA topoisomerase 2-alphaP11388HumansPredicted (SEA)2166.31
Click to view 3D structureProtein kinase C-like 1P43057Candida albicansPredicted (SEA)12.6116
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7651.72
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)7644.17
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)7670.8
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)7602.75
Substance-P receptor structureClick to view 3D structureSubstance-P receptorP25103HumansPredicted (SEA)6365.58
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)7292.14
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7566.63
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)6489.04
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available