(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide

Details

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Internal ID 44ae7c97-feff-4561-935f-be72e80e175a
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name (2R)-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20N2O/c1-3-11(2)15(18)16-9-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,16,18)/t11-/m1/s1
InChI Key RZZXMOMDVDHOMO-LLVKDONJSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20N2O
Molecular Weight 244.33 g/mol
Exact Mass 244.157563266 g/mol
Topological Polar Surface Area (TPSA) 44.90 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide

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
CHEMBL2581 P07339 Cathepsin D 98.71% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.26% 91.11%
CHEMBL1914 P06276 Butyrylcholinesterase 97.51% 95.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.21% 96.09%
CHEMBL255 P29275 Adenosine A2b receptor 92.07% 98.59%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 90.07% 83.10%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.86% 95.56%
CHEMBL3310 Q96DB2 Histone deacetylase 11 87.45% 88.56%
CHEMBL2535 P11166 Glucose transporter 87.33% 98.75%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 85.93% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 84.61% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.73% 89.00%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 82.31% 89.33%
CHEMBL4208 P20618 Proteasome component C5 81.60% 90.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.44% 100.00%
CHEMBL3959 P16083 Quinone reductase 2 81.38% 89.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.68% 99.23%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 80.10% 96.67%
CHEMBL5028 O14672 ADAM10 80.05% 97.50%

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 31065618
LOTUS LTS0191194
wikiData Q105248724