AN-201 I

Details

• Internal ID: dac5a258-7c2b-429d-b6df-3d83aaf98f15
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines
• IUPAC Name: [5-[[6-[(6-acetamido-3-aminohexanoyl)amino]-3-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate
• InChI: InChI=1S/C27H48N10O10/c1-12(39)31-6-2-4-13(28)8-17(41)32-7-3-5-14(29)9-18(42)34-21-22(43)23(47-26(30)45)16(11-38)46-25(21)37-27-35-19-15(40)10-33-24(44)20(19)36-27/h13-16,19-23,25,38,40,43H,2-11,28-29H2,1H3,(H2,30,45)(H,31,39)(H,32,41)(H,33,44)(H,34,42)(H2,35,36,37)
• InChI Key: JDQFOZPWCISXRD-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₄₈N₁₀O₁₀
• Molecular Weight: 672.70 g/mol
• Exact Mass: 672.35548777 g/mol
• Topological Polar Surface Area (TPSA): 327.00 Ų
• XlogP: -6.10

Synonyms

• AN-201 I
• RefChem:915786
• [5-[[6-[(6-acetamido-3-aminohexanoyl)amino]-3-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate
• DTXSID80967026
• 2-{[3-Amino-6-({3-amino-1-hydroxy-6-[(1-hydroxyethylidene)amino]hexylidene}amino)-1-hydroxyhexylidene]amino}-2-deoxy-N-(4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-4-O-[hydroxy(imino)methyl]hexopyranosylamine
• 4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-((6-((6-(acetylamino)-3-amino-1-oxohexyl)amino)-3-amino-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*)),3aalpha,7alpha,7abeta))-

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	99.35%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.96%	96.09%
CHEMBL2581	P07339	Cathepsin D	97.53%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.25%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	97.09%	97.09%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	96.53%	96.21%
CHEMBL5103	Q969S8	Histone deacetylase 10	94.57%	90.08%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	93.55%	89.34%
CHEMBL2996	Q05655	Protein kinase C delta	92.96%	97.79%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.11%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.56%	99.17%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	91.29%	93.10%
CHEMBL4040	P28482	MAP kinase ERK2	91.26%	83.82%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	89.80%	96.90%
CHEMBL3401	O75469	Pregnane X receptor	89.62%	94.73%
CHEMBL2094135	Q96BI3	Gamma-secretase	89.46%	98.05%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.75%	89.00%
CHEMBL204	P00734	Thrombin	87.49%	96.01%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	87.45%	94.33%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	86.76%	98.33%
CHEMBL3437	Q16853	Amine oxidase, copper containing	86.49%	94.00%
CHEMBL2514	O95665	Neurotensin receptor 2	86.31%	100.00%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	84.92%	85.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	84.59%	95.64%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.36%	95.50%
CHEMBL2413	P32246	C-C chemokine receptor type 1	83.65%	89.50%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	83.59%	95.71%
CHEMBL340	P08684	Cytochrome P450 3A4	82.35%	91.19%
CHEMBL255	P29275	Adenosine A2b receptor	81.40%	98.59%
CHEMBL226	P30542	Adenosine A1 receptor	81.38%	95.93%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.27%	95.89%
CHEMBL1075317	P61964	WD repeat-containing protein 5	80.11%	96.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162691
• LOTUS: LTS0173837
• wikiData: Q82949517