3,3-Bis-(3-indolyl)butan-2-one

Details

• Internal ID: d9266174-1ab6-44a8-b652-ae5af99ac653
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
• IUPAC Name: 3,3-bis(1H-indol-3-yl)butan-2-one
• InChI: InChI=1S/C20H18N2O/c1-13(23)20(2,16-11-21-18-9-5-3-7-14(16)18)17-12-22-19-10-6-4-8-15(17)19/h3-12,21-22H,1-2H3
• InChI Key: SJAXSVWJQZVKSD-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈N₂O
• Molecular Weight: 302.40 g/mol
• Exact Mass: 302.141913202 g/mol
• Topological Polar Surface Area (TPSA): 48.70 Ų
• XlogP: 3.90

Synonyms

• SCHEMBL17866727
• 3,3-bis(3-indolyl)butane-2-one
• 3,3-Bis-(3-indolyl)butan-2-one

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.78%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.35%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.57%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.73%	89.00%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.31%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.64%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	83.17%	94.73%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.43%	93.65%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.08%	85.14%
CHEMBL2535	P11166	Glucose transporter	81.95%	98.75%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	81.48%	96.39%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21597453
• LOTUS: LTS0211932
• wikiData: Q104197337