2H-Indol-2-one, 4,6-dibromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-

Details

• Internal ID: 23da00d0-d2db-4ad1-951a-aed153f1a9a9
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolines
• IUPAC Name: 4,6-dibromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
• InChI: InChI=1S/C11H9Br2NO3/c1-5(15)4-11(17)9-7(13)2-6(12)3-8(9)14-10(11)16/h2-3,17H,4H2,1H3,(H,14,16)
• InChI Key: UCZPZZBCCIUPSH-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₉Br₂NO₃
• Molecular Weight: 363.00 g/mol
• Exact Mass: 362.89287 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: 1.60

Synonyms

• 2H-Indol-2-one, 4,6-dibromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-
• DTXSID70435128
• RefChem:268729
• DTXCID90385954
• Convolutamydine A
• SCHEMBL28443703
• 4,6-dibromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-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	95.40%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.01%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.86%	85.14%
CHEMBL2581	P07339	Cathepsin D	93.13%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.33%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.82%	94.45%
CHEMBL4208	P20618	Proteasome component C5	84.12%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.86%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.22%	94.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.17%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10067245
• LOTUS: LTS0105071
• wikiData: Q82249837