(-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F

Details

• Internal ID: 62cf16b0-c24e-4441-b1d7-0d2050725136
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines
• IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aR,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-aminohexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
• InChI: InChI=1S/C21H36N8O9/c1-8(30)25-9(3-2-4-22)5-12(32)26-15-17(34)16(33)11(7-37-20(23)36)38-19(15)29-21-27-13-10(31)6-24-18(35)14(13)28-21/h9-11,13-17,19,31,33-34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,30)(H,26,32)(H2,27,28,29)/t9-,10+,11+,13+,14+,15+,16-,17-,19+/m0/s1
• InChI Key: MYRPVAWPYJQSCI-LONWOEDZSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₃₆N₈O₉
• Molecular Weight: 544.60 g/mol
• Exact Mass: 544.26052476 g/mol
• Topological Polar Surface Area (TPSA): 272.00 Ų
• XlogP: -5.80

Synonyms

• (-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
• CHEMBL1801942
• Q27136038
• (-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-N(beta)-acetylstreptothricin F

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
CHEMBL4040	P28482	MAP kinase ERK2	99.63%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.16%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.70%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.33%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.04%	97.09%
CHEMBL2581	P07339	Cathepsin D	93.71%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.59%	99.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	92.60%	89.34%
CHEMBL2094135	Q96BI3	Gamma-secretase	90.26%	98.05%
CHEMBL3401	O75469	Pregnane X receptor	89.60%	94.73%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	89.24%	96.90%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	88.56%	90.71%
CHEMBL5103	Q969S8	Histone deacetylase 10	87.99%	90.08%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	87.34%	92.29%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.85%	97.21%
CHEMBL2413	P32246	C-C chemokine receptor type 1	86.34%	89.50%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	85.40%	94.33%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	85.35%	82.86%
CHEMBL2996	Q05655	Protein kinase C delta	84.99%	97.79%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.82%	99.23%
CHEMBL3437	Q16853	Amine oxidase, copper containing	84.63%	94.00%
CHEMBL255	P29275	Adenosine A2b receptor	83.90%	98.59%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	82.86%	98.33%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.59%	95.50%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.45%	95.50%
CHEMBL2514	O95665	Neurotensin receptor 2	82.30%	100.00%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	81.96%	88.84%
CHEMBL5957	P21589	5'-nucleotidase	81.42%	97.78%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	81.00%	80.33%
CHEMBL3776	Q14790	Caspase-8	80.75%	97.06%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	80.59%	96.28%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.14%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53355459
• LOTUS: LTS0125049
• wikiData: Q27136038