Trichorovin-Xa

Details

• Internal ID: d63496b4-278e-4bed-b8c7-3c858e522c69
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: 2-[(2-acetamido-2-methylpropanoyl)amino]-N-[1-[[1-[[1-[2-[[1-[[1-[[1-[2-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide
• InChI: InChI=1S/C58H102N12O13/c1-31(2)26-37(30-71)60-50(78)42-20-18-24-69(42)54(82)57(14,15)67-49(77)41(29-34(7)8)62-47(75)39(27-32(3)4)63-51(79)43-21-19-25-70(43)55(83)58(16,17)68-52(80)45(35(9)10)65-48(76)40(28-33(5)6)61-46(74)38(22-23-44(59)73)64-53(81)56(12,13)66-36(11)72/h31-35,37-43,45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,78)(H,61,74)(H,62,75)(H,63,79)(H,64,81)(H,65,76)(H,66,72)(H,67,77)(H,68,80)
• InChI Key: FWSKKZMBNIVBFL-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₈H₁₀₂N₁₂O₁₃
• Molecular Weight: 1175.50 g/mol
• Exact Mass: 1174.76893135 g/mol
• Topological Polar Surface Area (TPSA): 366.00 Ų
• XlogP: 3.00

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
CHEMBL3837	P07711	Cathepsin L	99.69%	96.61%
CHEMBL2581	P07339	Cathepsin D	99.28%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	99.22%	97.25%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	98.71%	98.33%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	98.56%	98.94%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	98.38%	92.38%
CHEMBL220	P22303	Acetylcholinesterase	98.01%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.98%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	97.40%	93.56%
CHEMBL4123	P30989	Neurotensin receptor 1	96.96%	96.67%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	96.84%	97.43%
CHEMBL259	P32245	Melanocortin receptor 4	96.39%	95.38%
CHEMBL237	P41145	Kappa opioid receptor	96.17%	98.10%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	95.76%	96.03%
CHEMBL3437	Q16853	Amine oxidase, copper containing	95.13%	94.00%
CHEMBL3468	P55210	Caspase-7	95.01%	95.68%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	94.69%	96.67%
CHEMBL340	P08684	Cytochrome P450 3A4	94.51%	91.19%
CHEMBL4227	P25090	Lipoxin A4 receptor	94.21%	100.00%
CHEMBL2514	O95665	Neurotensin receptor 2	94.11%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	93.79%	96.47%
CHEMBL4625	Q07817	Apoptosis regulator Bcl-X	93.63%	99.77%
CHEMBL4801	P29466	Caspase-1	93.47%	96.85%
CHEMBL333	P08253	Matrix metalloproteinase-2	93.07%	96.31%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	93.01%	97.14%
CHEMBL4588	P22894	Matrix metalloproteinase 8	93.00%	94.66%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	92.98%	97.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.73%	97.09%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	92.39%	98.24%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	92.00%	97.64%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	91.84%	100.00%
CHEMBL3176	O43603	Galanin receptor 2	91.72%	98.89%
CHEMBL2094135	Q96BI3	Gamma-secretase	91.61%	98.05%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	90.77%	96.28%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	90.52%	83.14%
CHEMBL5103	Q969S8	Histone deacetylase 10	89.85%	90.08%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	89.28%	93.00%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	88.65%	96.21%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	88.55%	94.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.91%	95.89%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	87.76%	82.69%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	87.59%	87.16%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	87.46%	83.10%
CHEMBL274	P51681	C-C chemokine receptor type 5	87.01%	98.77%
CHEMBL321	P14780	Matrix metalloproteinase 9	86.95%	92.12%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	86.75%	97.47%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	86.61%	92.80%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.37%	90.71%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	85.86%	96.90%
CHEMBL344	Q99705	Melanin-concentrating hormone receptor 1	85.82%	92.50%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	85.72%	93.10%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	85.62%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.50%	99.17%
CHEMBL3018	Q9Y5Y6	Matriptase	85.44%	98.33%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	85.14%	95.71%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	85.12%	97.23%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.38%	95.50%
CHEMBL206	P03372	Estrogen receptor alpha	84.29%	97.64%
CHEMBL2413	P32246	C-C chemokine receptor type 1	83.77%	89.50%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.73%	100.00%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	83.55%	88.42%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.51%	89.62%
CHEMBL5028	O14672	ADAM10	83.46%	97.50%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	83.10%	97.50%
CHEMBL1873	P00750	Tissue-type plasminogen activator	82.88%	93.33%
CHEMBL236	P41143	Delta opioid receptor	82.69%	99.35%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.55%	95.89%
CHEMBL2095194	P08709	Coagulation factor VII/tissue factor	82.35%	99.17%
CHEMBL1801	P00747	Plasminogen	82.03%	92.44%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.40%	97.21%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.32%	96.00%
CHEMBL249	P25103	Neurokinin 1 receptor	81.16%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	81.03%	95.17%
CHEMBL2534	O15530	3-phosphoinositide dependent protein kinase-1	80.95%	95.36%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.80%	96.95%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	80.78%	95.00%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	80.43%	91.81%
CHEMBL3691	Q13822	Autotaxin	80.40%	96.39%
CHEMBL4015	P41597	C-C chemokine receptor type 2	80.23%	98.57%
CHEMBL2664	P23526	Adenosylhomocysteinase	80.10%	86.67%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	80.05%	98.46%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.02%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585285
• LOTUS: LTS0095210
• wikiData: Q77387518