N,N'-Dimethyl-N,N'-bis(tetracycline)ethylenediamine (CED0154638)

Record Information

Version

1.0

Creation Date

2026-03-31 21:28:58 UTC

Update Date

2026-05-20 19:30:29 UTC

SynCED ID

CED0154638

Secondary Accession Numbers

CHEM058020

Identification

Common Name

N,N'-Dimethyl-N,N'-bis(tetracycline)ethylenediamine

Class

Small Molecule

Description

N,N'-Dimethyl-N,N'-bis(tetracycline)ethylenediamine belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the chemical formula C50H60N6O16. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for this substance include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₀H₆₀N₆O₁₆

Average Molecular Mass

Not Available

Monoisotopic Mass

1000.407 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

InChI Key

BZUKDLNEDCDORL-ULRSWZSCSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Multidrug transporter MdfA	P0AEY8	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.379 Statistical Significance 8.00e-05 Supporting Reference Compounds 2 E-value 0.622794
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.714 Statistical Significance 0.0043 Supporting Reference Compounds 49 E-value 33.2416
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.419 Statistical Significance 0.0747 Supporting Reference Compounds 425 E-value 581.534
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.714 Statistical Significance 0.0363 Supporting Reference Compounds 130 E-value 282.437
Click to view 3D structure	Alpha-synuclein	P37840	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.714 Statistical Significance 0.0063 Supporting Reference Compounds 38 E-value 48.9672
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.419 Statistical Significance 0.1015 Supporting Reference Compounds 108 E-value 789.858
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.419 Statistical Significance 0.3478 Supporting Reference Compounds 343 E-value 2707.75
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.375 Statistical Significance 0.4402 Supporting Reference Compounds 146 E-value 3427.23
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.193 Low confidence Statistical Significance 0.6889 Supporting Reference Compounds 528 E-value 5363.11
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.193 Low confidence Statistical Significance 0.743 Supporting Reference Compounds 541 E-value 5783.96
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.193 Low confidence Statistical Significance 0.8867 Supporting Reference Compounds 1103 E-value 6903.05
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.215 Low confidence Statistical Significance 0.8278 Supporting Reference Compounds 562 E-value 6444.75
Click to view 3D structure	NAD-dependent protein deacylase sirtuin-5, mitochondrial	Q9NXA8	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.379 Statistical Significance 0.012 Supporting Reference Compounds 14 E-value 93.7305
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.193 Low confidence Statistical Significance 0.8687 Supporting Reference Compounds 861 E-value 6762.45
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.193 Low confidence Statistical Significance 0.8827 Supporting Reference Compounds 953 E-value 6872.14
Click to view 3D structure	Aldehyde dehydrogenase, cytosolic 1	P13601	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.192 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 2 E-value 16.504
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.193 Low confidence Statistical Significance 0.8335 Supporting Reference Compounds 565 E-value 6488.89
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.215 Low confidence Statistical Significance 0.4465 Supporting Reference Compounds 229 E-value 3476.36
Click to view 3D structure	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.193 Low confidence Statistical Significance 0.5541 Supporting Reference Compounds 145 E-value 4313.86
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.197 Low confidence Statistical Significance 0.9808 Supporting Reference Compounds 1538 E-value 7635.69
Click to view 3D structure	D(2) dopamine receptor	P20288	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.193 Low confidence Statistical Significance 0.3311 Supporting Reference Compounds 72 E-value 2577.51
Click to view 3D structure	DNA topoisomerase 1	P11387	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.211 Low confidence Statistical Significance 0.0876 Supporting Reference Compounds 25 E-value 681.648
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.189 Low confidence Statistical Significance 0.5104 Supporting Reference Compounds 199 E-value 3973.19
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.211 Low confidence Statistical Significance 0.939 Supporting Reference Compounds 996 E-value 7309.89
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.189 Low confidence Statistical Significance 0.9785 Supporting Reference Compounds 1498 E-value 7617.94