Chloromyxamide A
| Internal ID | 9f77fee4-120c-4125-b1b2-3f340c563c15 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-1-[(2S)-1-[(2S)-2-[[(2S,5S,6S)-6-(chloromethyl)-5-methoxypiperidine-2-carbonyl]amino]-3-methylbutanoyl]piperidine-2-carbonyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H39ClN4O6/c1-14(2)20(27-21(30)15-9-10-19(35-3)16(13-25)26-15)23(32)28-11-5-4-7-17(28)22(31)29-12-6-8-18(29)24(33)34/h14-20,26H,4-13H2,1-3H3,(H,27,30)(H,33,34)/t15-,16+,17-,18-,19-,20-/m0/s1 |
| InChI Key | RBXSKBXFOJTNHC-XSEPRYCASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H39ClN4O6 |
| Molecular Weight | 515.00 g/mol |
| Exact Mass | 514.2558127 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | -0.60 |
| Atomic LogP (AlogP) | 0.96 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 8 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.5331 | 53.31% |
| Caco-2 | - | 0.7614 | 76.14% |
| Blood Brain Barrier | - | 0.9000 | 90.00% |
| Human oral bioavailability | + | 0.5143 | 51.43% |
| Subcellular localzation | Mitochondria | 0.6704 | 67.04% |
| OATP2B1 inhibitior | - | 0.7101 | 71.01% |
| OATP1B1 inhibitior | + | 0.9021 | 90.21% |
| OATP1B3 inhibitior | + | 0.9227 | 92.27% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | - | 0.5990 | 59.90% |
| P-glycoprotein inhibitior | - | 0.4621 | 46.21% |
| P-glycoprotein substrate | + | 0.6409 | 64.09% |
| CYP3A4 substrate | + | 0.6689 | 66.89% |
| CYP2C9 substrate | - | 0.8078 | 80.78% |
| CYP2D6 substrate | - | 0.8221 | 82.21% |
| CYP3A4 inhibition | - | 0.7007 | 70.07% |
| CYP2C9 inhibition | - | 0.7106 | 71.06% |
| CYP2C19 inhibition | - | 0.7469 | 74.69% |
| CYP2D6 inhibition | - | 0.8531 | 85.31% |
| CYP1A2 inhibition | - | 0.9173 | 91.73% |
| CYP2C8 inhibition | - | 0.7276 | 72.76% |
| CYP inhibitory promiscuity | - | 0.9093 | 90.93% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8338 | 83.38% |
| Carcinogenicity (trinary) | Non-required | 0.5962 | 59.62% |
| Eye corrosion | - | 0.9893 | 98.93% |
| Eye irritation | - | 0.9445 | 94.45% |
| Skin irritation | - | 0.7777 | 77.77% |
| Skin corrosion | - | 0.9248 | 92.48% |
| Ames mutagenesis | - | 0.5400 | 54.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6726 | 67.26% |
| Micronuclear | + | 0.7800 | 78.00% |
| Hepatotoxicity | + | 0.6659 | 66.59% |
| skin sensitisation | - | 0.9021 | 90.21% |
| Respiratory toxicity | + | 0.8556 | 85.56% |
| Reproductive toxicity | + | 0.8778 | 87.78% |
| Mitochondrial toxicity | + | 0.9125 | 91.25% |
| Nephrotoxicity | - | 0.5513 | 55.13% |
| Acute Oral Toxicity (c) | III | 0.6477 | 64.77% |
| Estrogen receptor binding | + | 0.6143 | 61.43% |
| Androgen receptor binding | + | 0.5869 | 58.69% |
| Thyroid receptor binding | - | 0.5268 | 52.68% |
| Glucocorticoid receptor binding | + | 0.5392 | 53.92% |
| Aromatase binding | + | 0.5296 | 52.96% |
| PPAR gamma | - | 0.5120 | 51.20% |
| Honey bee toxicity | - | 0.8481 | 84.81% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | - | 0.6400 | 64.00% |
| Fish aquatic toxicity | + | 0.6700 | 67.00% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.83% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.04% | 97.25% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.28% | 98.33% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 92.56% | 90.65% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 91.05% | 94.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.96% | 98.10% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.23% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.06% | 90.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.90% | 94.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.33% | 92.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.08% | 93.03% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.83% | 94.66% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 87.75% | 96.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.52% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.39% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.74% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.34% | 91.19% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.32% | 93.67% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.96% | 99.18% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 85.92% | 98.24% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.91% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.43% | 97.09% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.35% | 92.38% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.10% | 92.12% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.01% | 95.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.91% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.22% | 97.50% |
| CHEMBL204 | P00734 | Thrombin | 84.18% | 96.01% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.94% | 94.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.77% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.76% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.70% | 93.56% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 83.65% | 93.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.60% | 96.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.52% | 97.64% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.28% | 96.21% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.16% | 97.28% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.09% | 90.08% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.80% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.25% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.04% | 95.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.02% | 93.10% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.65% | 97.56% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.64% | 96.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.06% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.79% | 89.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.50% | 91.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.49% | 96.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.02% | 90.24% |
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 | 146684617 |
| LOTUS | LTS0119689 |
| wikiData | Q105233411 |