N-[1-[[3-hydroxy-1-[methyl-[3-methyl-1-[2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide
| Internal ID | e01ebd67-5259-495a-b425-a0d545e32996 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | N-[1-[[3-hydroxy-1-[methyl-[3-methyl-1-[2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H63N5O7/c1-12-13-15-24(6)21-25(7)34(46)39(10)29(20-22(2)3)33(45)38-31(27(9)43)36(48)40(11)32(23(4)5)37(49)41-19-14-16-28(41)35(47)42-26(8)17-18-30(42)44/h17-18,22-29,31-32,43H,12-16,19-21H2,1-11H3,(H,38,45) |
| InChI Key | LMOADMWPBSXHHB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H63N5O7 |
| Molecular Weight | 689.90 g/mol |
| Exact Mass | 689.47274937 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of N-[1-[[3-hydroxy-1-[methyl-[3-methyl-1-[2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide](https://plantaedb.com/storage/docs/compounds/2023/11/4d64b3b0-85b8-11ee-9f37-098fd7857086.jpg "2D Structure of N-[1-[[3-hydroxy-1-[methyl-[3-methyl-1-[2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.89% | 98.95% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 98.87% | 94.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.78% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 96.76% | 90.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.28% | 98.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 95.82% | 94.66% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.24% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.00% | 90.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.57% | 89.63% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.37% | 91.76% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 93.00% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.85% | 100.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 92.14% | 95.52% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.95% | 90.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.93% | 98.10% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.13% | 93.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.96% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.92% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.42% | 90.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.10% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.14% | 96.90% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.13% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.07% | 90.08% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 86.88% | 97.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.54% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.00% | 93.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.92% | 97.64% |
| CHEMBL268 | P43235 | Cathepsin K | 85.80% | 96.85% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.57% | 98.59% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.23% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.43% | 95.89% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.28% | 96.37% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.27% | 96.47% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.16% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.15% | 91.11% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 83.62% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.43% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.36% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.87% | 92.12% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.71% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.55% | 92.50% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 81.50% | 94.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.82% | 82.38% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.78% | 96.39% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.77% | 98.03% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.68% | 98.46% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.48% | 91.19% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.18% | 96.31% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 85175050 |
| LOTUS | LTS0031644 |
| wikiData | Q104171096 |