(2E)-6-bromo-2-(6-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one

Details

• Internal ID: 2135dd5e-8166-4c8b-aa03-c29ec4ccf871
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolines
• IUPAC Name: (2E)-6-bromo-2-(6-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
• InChI: InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H/b14-13+
• InChI Key: ZVAPIIDBWWULJN-BUHFOSPRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₈Br₂N₂O₂
• Molecular Weight: 420.05 g/mol
• Exact Mass: 419.89320 g/mol
• Topological Polar Surface Area (TPSA): 58.20 Ų
• XlogP: 5.10

Synonyms

There are no found synonyms.

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.53%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.78%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.75%	91.11%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.24%	93.40%
CHEMBL1937	Q92769	Histone deacetylase 2	87.52%	94.75%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	82.82%	92.88%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.61%	94.00%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	81.36%	96.67%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.35%	93.03%
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	81.29%	81.14%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	80.24%	96.38%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5491378
• LOTUS: LTS0108604
• wikiData: Q5180360