Closthioamide

Details

• Internal ID: 3a42afa1-9343-4ae7-89aa-5a685af34aa3
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 4-hydroxy-N-[3-[[3-[3-[3-[3-[(4-hydroxybenzenecarbothioyl)amino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidenepropyl]amino]-3-sulfanylidenepropyl]benzenecarbothioamide
• InChI: InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
• InChI Key: UBZKZUDCUOZCCY-UHFFFAOYSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₃₈N₆O₂S₆
• Molecular Weight: 695.10 g/mol
• Exact Mass: 694.13805152 g/mol
• Topological Polar Surface Area (TPSA): 305.00 Ų
• XlogP: 2.40

Synonyms

• SCHEMBL12655890
• AKOS040732833
• HY-101472
• CS-0021436
• 1227367-59-0
• IQ4

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	94.85%	91.11%
CHEMBL242	Q92731	Estrogen receptor beta	93.61%	98.35%
CHEMBL2581	P07339	Cathepsin D	90.95%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.92%	99.17%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	88.82%	85.00%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	82.48%	97.23%
CHEMBL3401	O75469	Pregnane X receptor	80.83%	94.73%
CHEMBL4208	P20618	Proteasome component C5	80.13%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135937227
• LOTUS: LTS0082941
• wikiData: Q77571370