Tambjamine E

Details

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Internal ID 4f446387-59cc-4ff9-b40e-1a2ac4840b20
Taxonomy Organic oxygen compounds > Organooxygen compounds > Ethers > Alkyl aryl ethers
IUPAC Name N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H15N3O/c1-3-13-8-11-12(16-2)7-10(15-11)9-5-4-6-14-9/h4-8,14-15H,3H2,1-2H3
InChI Key WUQYWAZRDRWKFZ-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H15N3O
Molecular Weight 217.27 g/mol
Exact Mass 217.121512110 g/mol
Topological Polar Surface Area (TPSA) 53.20 Ų
XlogP 1.40

Synonyms

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4U45NBS9DJ
126584-10-9
ethyl({[(5Z)-4-methoxy-1'H,5H-[2,2'-bipyrrol]-5-ylidene]methyl})amine
Ethanamine, N-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-
N-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]ethanamine

2D Structure

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2D Structure of Tambjamine E

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.51% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.23% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.78% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.37% 86.33%
CHEMBL2535 P11166 Glucose transporter 89.48% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.44% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.64% 93.99%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.70% 89.62%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 86.62% 89.32%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.29% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.44% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.30% 99.17%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.04% 91.71%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.90% 85.30%
CHEMBL4578 Q14680 Maternal embryonic leucine zipper kinase 80.45% 81.58%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 80.04% 92.38%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 135475511
LOTUS LTS0130145
wikiData Q104403163