Nordysidenin

Details

• Internal ID: 62613ff9-89e1-4e5c-9e73-6c6a6ae54996
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives
• IUPAC Name: (2S,4S)-5,5,5-trichloro-4-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide
• InChI: InChI=1S/C16H21Cl6N3O2S/c1-8(15(17,18)19)6-11(25-12(26)7-9(2)16(20,21)22)13(27)24-10(3)14-23-4-5-28-14/h4-5,8-11H,6-7H2,1-3H3,(H,24,27)(H,25,26)/t8-,9-,10-,11-/m0/s1
• InChI Key: JXAGQUPIAAXRDS-NAKRPEOUSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₁Cl₆N₃O₂S
• Molecular Weight: 532.10 g/mol
• Exact Mass: 530.945614 g/mol
• Topological Polar Surface Area (TPSA): 99.30 Ų
• XlogP: 5.50

Synonyms

• DTXSID001335626

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
CHEMBL2581	P07339	Cathepsin D	97.76%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	95.44%	89.34%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	92.80%	96.90%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.22%	96.09%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	92.11%	93.10%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	91.62%	92.29%
CHEMBL3401	O75469	Pregnane X receptor	90.02%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.99%	99.17%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	89.74%	100.00%
CHEMBL2094135	Q96BI3	Gamma-secretase	89.17%	98.05%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	89.16%	100.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	88.39%	90.71%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	83.76%	97.23%
CHEMBL2535	P11166	Glucose transporter	83.19%	98.75%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.22%	95.50%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.51%	91.11%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	81.11%	98.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.04%	99.15%
CHEMBL4208	P20618	Proteasome component C5	80.57%	90.00%
CHEMBL1907598	P05106	Integrin alpha-V/beta-3	80.51%	95.71%
CHEMBL4801	P29466	Caspase-1	80.14%	96.85%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10721006
• LOTUS: LTS0024667
• wikiData: Q75069274