Sulphostin

Details

• Internal ID: e998ec4f-6db7-4c83-b73d-68c1790fd703
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: [amino-[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
• InChI: InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1
• InChI Key: AYVBXTCIPLYEBG-NMAPHRJESA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₃N₄O₅PS
• Molecular Weight: 272.22 g/mol
• Exact Mass: 272.03442770 g/mol
• Topological Polar Surface Area (TPSA): 164.00 Ų
• XlogP: -5.00

Synonyms

• CHEMBL504823
• [amino-[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
• SCHEMBL3123071
• BDBM50478410

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL284	P27487	Dipeptidyl peptidase IV	21 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	92.85%	96.38%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	92.65%	93.03%
CHEMBL3384	Q16512	Protein kinase N1	92.65%	80.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.46%	95.56%
CHEMBL1978	P11511	Cytochrome P450 19A1	89.62%	91.76%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.40%	97.09%
CHEMBL2581	P07339	Cathepsin D	87.38%	98.95%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	87.11%	91.03%
CHEMBL5203	P33316	dUTP pyrophosphatase	87.10%	99.18%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.74%	95.89%
CHEMBL4040	P28482	MAP kinase ERK2	86.71%	83.82%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	84.51%	94.01%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	83.98%	93.04%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	82.70%	83.14%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.18%	94.33%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.10%	95.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.71%	99.23%
CHEMBL1871	P10275	Androgen Receptor	81.40%	96.43%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	81.03%	98.99%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.03%	96.09%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.27%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9795469
• LOTUS: LTS0081703
• wikiData: Q77423953