Pyrrolomycin F3

Details

• Internal ID: 532a1019-5a28-436b-9eda-3b68ea4c76af
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones
• IUPAC Name: (3-bromo-4,5-dichloro-1H-pyrrol-2-yl)-(5-bromo-2-hydroxyphenyl)methanone
• InChI: InChI=1S/C11H5Br2Cl2NO2/c12-4-1-2-6(17)5(3-4)10(18)9-7(13)8(14)11(15)16-9/h1-3,16-17H
• InChI Key: ICQSKHARNVQSEP-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₅Br₂Cl₂NO₂
• Molecular Weight: 413.87 g/mol
• Exact Mass: 412.80436 g/mol
• Topological Polar Surface Area (TPSA): 53.10 Ų
• XlogP: 5.60

Synonyms

• 88228-92-6
• CHEMBL4095323

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	98.35%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.15%	94.45%
CHEMBL4208	P20618	Proteasome component C5	90.38%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.07%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.36%	95.56%
CHEMBL3194	P02766	Transthyretin	88.08%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	86.33%	94.73%
CHEMBL4617	P11086	Phenylethanolamine N-methyltransferase	85.72%	81.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.29%	94.00%
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	83.71%	93.24%
CHEMBL2535	P11166	Glucose transporter	82.95%	98.75%
CHEMBL2581	P07339	Cathepsin D	82.71%	98.95%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	80.49%	85.00%
CHEMBL1811	P34995	Prostanoid EP1 receptor	80.44%	95.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102115512
• LOTUS: LTS0054402
• wikiData: Q105111117