Amicycline (CED0054498)

Record Information
Version1.0
Creation Date2026-03-31 21:29:16 UTC
Update Date2026-05-20 19:30:34 UTC
Accession NumberCHEM058024
Identification
Common NameAmicycline
ClassSmall Molecule
Description
Amicycline is an organic compound with the chemical formula C21H23N3O7. Amicycline belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (antibiotics). Recorded exposure routes for the compound include inhalation and oral administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H23N3O7
Average Molecular MassNot Available
Monoisotopic Mass429.154 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C21H23N3O7/c1-24(2)14-9-6-8-5-7-3-4-10(22)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(23)30/h3-4,8-9,14,25,27-28,31H,5-6,22H2,1-2H3,(H2,23,30)/t8-,9-,14-,21-/m0/s1
InChI KeyLRJNBPUJLBQLEI-CROFIWJMSA-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
SpectraNot Available
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
125.0Log mg/kg[70:220]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

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)429.105
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)983.002
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)275.82
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)256.357
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)2597.28
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)2960.61
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)498.702
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)6308.43
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)3395.78
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)4527.79
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)6759.26
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)2361.48
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)6144.48
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)2116.64
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)2161.02
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)3318.01
Click to view 3D structureCytochrome P450 7B1O75881HumansPredicted (SEA)26.7023
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)3540.5
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7111.84
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)6480.32
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)6841.93
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)5366.85
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7697.96
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7472.2
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available