(+)-Antibiotic K 252a (CED0014460)

Record Information
Version1.0
Creation Date2026-03-31 21:05:04 UTC
Update Date2026-08-22 07:11:37 UTC
Accession NumberCHEM057954
Identification
Common Name(+)-Antibiotic K 252a
ClassSmall Molecule
Description
(+)-Antibiotic K 252a is an organoheterocyclic compound with the formula C27H21N3O5 and an average molecular weight of 467.48 g/mol. (+)-Antibiotic K 252a belongs to the carbazoles, a subclass of indoles and derivatives within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for this compound include inhalation and oral intake.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H21N3O5
Average Molecular Mass467.481 g/mol
Monoisotopic Mass467.148 g/mol
CAS Registry Number99533-80-9
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O
InChI IdentifierInChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
InChI KeyKOZFSFOOLUUIGY-SOLYNIJKSA-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 Spectrumsplash10-014i-0000900000-f13aa2d857046160cde8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014r-0000900000-09b2057e594f992868cfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0il3-2009700000-66cdf34189df54f56999Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-0000900000-2b87f1c8f5ea99e23498Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-1001900000-4976500a773b0bc37b9bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9006100000-406d70b0cbf2a8dcea51Not 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
8358.0Log mg/kg[4700:15000]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
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)0.0778492
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)0.0778492
Myosin light chain kinase, smooth muscle structureClick to view 3D structureMyosin light chain kinase, smooth muscleQ15746HumansPredicted (SEA)0.0778492
Mitogen-activated protein kinase kinase kinase 11 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase 11Q16584HumansPredicted (SEA)0.0778492
Mitogen-activated protein kinase kinase kinase 9 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase 9P80192HumansPredicted (SEA)0.0778492
Protein kinase C theta type structureClick to view 3D structureProtein kinase C theta typeQ04759HumansPredicted (SEA)0.311397
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)0.700643
Calcium/calmodulin-dependent protein kinase kinase 2 structureClick to view 3D structureCalcium/calmodulin-dependent protein kinase kinase 2Q96RR4HumansPredicted (SEA)0.155698
Mitogen-activated protein kinase kinase kinase 10 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase 10Q02779HumansPredicted (SEA)0.0778492
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)1.86838
Click to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit epsilonQ14164HumansPredicted (SEA)1.40129
Serine/threonine-protein kinase TBK1 structureClick to view 3D structureSerine/threonine-protein kinase TBK1Q9UHD2HumansPredicted (SEA)1.40129
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)1.94623
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)1.86838
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)2.49118
Dual specificity mitogen-activated protein kinase kinase 1 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 1Q02750HumansPredicted (SEA)0.778492
Mitogen-activated protein kinase 9 structureClick to view 3D structureMitogen-activated protein kinase 9P45984HumansPredicted (SEA)1.86838
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)1.79053
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)1.08989
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 2Q12851HumansPredicted (SEA)1.71268
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)0.778492
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)1.86838
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)1.71268
Death-associated protein kinase 3 structureClick to view 3D structureDeath-associated protein kinase 3O43293HumansPredicted (SEA)1.63483
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)1.55698
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available