Tubulysin C
| Internal ID | 42a3742f-c584-45d8-a9c6-2587aa2b3df3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H61N5O10S/c1-9-25(5)36(44-38(51)32-13-11-12-18-45(32)8)40(52)46(23-55-35(49)10-2)33(24(3)4)21-34(56-27(7)47)39-43-31(22-57-39)37(50)42-29(19-26(6)41(53)54)20-28-14-16-30(48)17-15-28/h14-17,22,24-26,29,32-34,36,48H,9-13,18-21,23H2,1-8H3,(H,42,50)(H,44,51)(H,53,54)/t25-,26-,29+,32+,33+,34+,36-/m0/s1 |
| InChI Key | NZCNGJHOIKMMCG-UZRVFEFTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H61N5O10S |
| Molecular Weight | 816.00 g/mol |
| Exact Mass | 815.41391433 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 3.90 |
| 205304-88-7 |
| 072P54KU0L |
| UNII-072P54KU0L |
| (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid |
| Benzenepentanoic acid, gamma-(((2-((1R,3R)-1-(acetyloxy)-4-methyl-3-(((2S,3S)-3-methyl-2-((((2R)-1-methyl-2-piperidinyl)carbonyl)amino)-1-oxopentyl)((1-oxopropoxy)methyl)amino)pentyl)-4-thiazolyl)carbonyl)amino)-4-hydroxy-alpha-methyl-, (alphaS,.ga |
| SCHEMBL24218753 |
| EX-A5466C |
| HY-N2347 |
| AKOS040740942 |
| CS-0021784 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.87% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 98.78% | 93.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.77% | 93.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.85% | 97.25% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.79% | 92.68% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.40% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.48% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.45% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.03% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.02% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.13% | 90.71% |
| CHEMBL240 | Q12809 | HERG | 88.73% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.70% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.23% | 100.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.95% | 95.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.44% | 85.14% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.14% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.03% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.78% | 95.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.23% | 96.90% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.57% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.53% | 97.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.49% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.40% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.40% | 95.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.79% | 97.50% |
| CHEMBL268 | P43235 | Cathepsin K | 82.36% | 96.85% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.09% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.47% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.46% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.14% | 94.45% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.15% | 83.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11262920 |
| LOTUS | LTS0121563 |
| wikiData | Q77491093 |