Sunshinamide

Details

• Internal ID: c21b1b8a-fb73-4ad6-8a5f-3e12000c8521
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
• IUPAC Name: (1R,4R,11R)-4-benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone
• InChI: InChI=1S/C25H35N3O5S2/c1-2-3-4-5-9-12-18-14-22(29)26-19(13-17-10-7-6-8-11-17)23(30)27-20-15-34-35-16-21(25(32)33-18)28-24(20)31/h6-8,10-11,18-21H,2-5,9,12-16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18?,19-,20+,21+/m1/s1
• InChI Key: KFYDPFIYPBXQLG-IWORHSITSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₅N₃O₅S₂
• Molecular Weight: 521.70 g/mol
• Exact Mass: 521.20181357 g/mol
• Topological Polar Surface Area (TPSA): 164.00 Ų
• XlogP: 3.90

Synonyms

There are no found synonyms.

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	99.26%	98.95%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	96.80%	97.64%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.64%	95.56%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.20%	92.08%
CHEMBL4462	Q8IXJ6	NAD-dependent deacetylase sirtuin 2	93.96%	90.24%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.42%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.84%	91.11%
CHEMBL2327	P21452	Neurokinin 2 receptor	88.98%	98.89%
CHEMBL3401	O75469	Pregnane X receptor	87.55%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.94%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.53%	97.25%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.47%	90.08%
CHEMBL3524	P56524	Histone deacetylase 4	84.43%	92.97%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.98%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.97%	86.33%
CHEMBL4523377	Q86WV6	Stimulator of interferon genes protein	83.02%	95.48%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.96%	91.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.69%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.21%	95.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.10%	97.14%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.70%	93.56%
CHEMBL1902	P62942	FK506-binding protein 1A	80.64%	97.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.09%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139591550
• LOTUS: LTS0117350
• wikiData: Q105140617