Pentabromopseudilin

Details

• Internal ID: 989ce715-79d4-43fb-99c4-06501fb30096
• Taxonomy: Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles
• IUPAC Name: 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
• SMILES (Canonical): C1=C(C=C(C(=C1C2=C(C(=C(N2)Br)Br)Br)O)Br)Br
• SMILES (Isomeric): C1=C(C=C(C(=C1C2=C(C(=C(N2)Br)Br)Br)O)Br)Br
• InChI: InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
• InChI Key: LXMNWKJHYOZUQL-UHFFFAOYSA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₄Br₅NO
• Molecular Weight: 553.70 g/mol
• Exact Mass: 552.61688 g/mol
• Topological Polar Surface Area (TPSA): 36.00 Ų
• XlogP: 5.80

Synonyms

• 10245-81-5
• 2,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
• NSC641543
• Phenol, 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)-
• BUV7D4FJ9V
• NSC-288032
• NSC-641543
• Phenol, 2,4-dibromo-6-(3,4,5-tribromopyrrol-2-yl)-
• CHEMBL1235156
• CHEBI:70619
• NSC641543; NSC288032
• Pyrrolantibiotic
• Lovell substance
• 4nak
• PBQ
• UNII-BUV7D4FJ9V
• C10H4Br5NO
• Bromine rich marine antibiotic
• SCHEMBL3992636
• NIOSH/SK8150000
• DTXSID90314744
• LXMNWKJHYOZUQL-UHFFFAOYSA-N
• BDBM50345502
• HB4021
• NSC288032
• HY-113604
• CS-0062693
• SK81500000
• 2,4-Dibromo-6-(2,4,5-tribromo-3-pyrrolyl)phenol
• Phenol,4-dibromo-6-(3,4,5-tribromopyrrol-2-yl)-
• DIBROMO-6-(3,5-TRIBROMOPYRROL-2-YL)-PHENOL
• Q27138952
• DIBROMO-6-(3,4,5-TRIBROMOPYRROL-2-YL)-PHENOL
• Phenol, 2,4-dibromo-6-(2,4,5-tribromo-3-pyrrolyl)-
• Phenol,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)-
• 2,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol #
• 3,4,5-tribromo-2-( 3,5-dibromo-2-hydroxyphenyl )pyrrole
• (1H)Pyrrole, 2,3,4-tribromo-5-(2,4-dibromo-phenol-6-yl)-
• 2-(3,5-Dibromo-2-hydroxyphenyl)-3,4,5-tribromopyrrol; 2,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
• InChI=1/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17

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
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	95.68%	93.24%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.56%	91.11%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	87.99%	95.64%
CHEMBL242	Q92731	Estrogen receptor beta	87.66%	98.35%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	87.31%	91.79%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.66%	95.56%
CHEMBL5905	Q04828	Aldo-keto reductase family 1 member C1	84.53%	91.79%
CHEMBL2581	P07339	Cathepsin D	84.39%	98.95%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.09%	91.71%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.74%	92.94%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.01%	94.45%
CHEMBL4355	O14976	Serine/threonine-protein kinase GAK	80.53%	89.32%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 324093
• LOTUS: LTS0225203
• wikiData: Q27138952