Nortopsentin A

Details

• Internal ID: 95daabc1-65a9-493c-81dc-3e63c8b11e5d
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles
• IUPAC Name: 6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
• InChI: InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)
• InChI Key: BIGUXWQKCPFOAH-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₂Br₂N₄
• Molecular Weight: 456.10 g/mol
• Exact Mass: 455.94082 g/mol
• Topological Polar Surface Area (TPSA): 60.30 Ų
• XlogP: 5.00

Synonyms

• 134029-43-9
• CHEMBL302637
• 6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
• 2,4-Bis(6-bromo-1H-indol-3-yl)-1H-imidazole
• 3,3'-Imidazole-2,4-diylbis(6-bromoindole)
• SCHEMBL8616377
• SCHEMBL17243838
• DTXSID50158464
• BIGUXWQKCPFOAH-UHFFFAOYSA-N
• BDBM50287723
• 1H-Indole, 3,3'-(1H-imidazole-2,4-diyl)bis(6-bromo-
• 6-bromo-3-[4-(6-bromo-1H-3-indolyl)-1H-2-imidazolyl]-1H-indole
• 6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-4-yl]-1H-indole

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
CHEMBL1951	P21397	Monoamine oxidase A	98.64%	91.49%
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	98.60%	93.24%
CHEMBL5443	O00311	Cell division cycle 7-related protein kinase	97.40%	96.11%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	93.87%	93.40%
CHEMBL1937	Q92769	Histone deacetylase 2	93.16%	94.75%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	93.12%	85.49%
CHEMBL202	P00374	Dihydrofolate reductase	93.07%	89.92%
CHEMBL2535	P11166	Glucose transporter	91.69%	98.75%
CHEMBL2716	Q8WUI4	Histone deacetylase 7	91.30%	89.44%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.91%	92.94%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.67%	94.00%
CHEMBL213	P08588	Beta-1 adrenergic receptor	90.15%	95.56%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.13%	89.62%
CHEMBL255	P29275	Adenosine A2b receptor	88.29%	98.59%
CHEMBL1781	P11387	DNA topoisomerase I	87.45%	97.00%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	87.30%	97.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.85%	94.45%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.49%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.26%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.84%	96.09%
CHEMBL3310	Q96DB2	Histone deacetylase 11	85.68%	88.56%
CHEMBL5747	Q92793	CREB-binding protein	85.41%	95.12%
CHEMBL1811	P34995	Prostanoid EP1 receptor	85.37%	95.71%
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	85.23%	81.14%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	84.08%	89.67%
CHEMBL5543	Q9Y463	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	83.17%	94.70%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.74%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.63%	95.89%
CHEMBL2000	P03952	Plasma kallikrein	81.80%	93.92%
CHEMBL2094121	P14867	GABA-A receptor; alpha-1/beta-3/gamma-2	81.61%	95.50%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	81.17%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 179268
• LOTUS: LTS0068766
• wikiData: Q83026725