Diazaquinomycin G
| Internal ID | c33961fe-7728-4956-acda-dd4759c88ee8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline quinones |
| IUPAC Name | 3-methyl-4-pentyl-6-propyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24N2O4/c1-4-6-7-9-13-11(3)21(27)23-18-16(13)19(25)15-12(8-5-2)10-14(24)22-17(15)20(18)26/h10H,4-9H2,1-3H3,(H,22,24)(H,23,27) |
| InChI Key | DHUPSYOJFKLAAA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24N2O4 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 2.50 |
| Atomic LogP (AlogP) | 2.83 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 6 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9118 | 91.18% |
| Caco-2 | + | 0.6775 | 67.75% |
| Blood Brain Barrier | + | 0.6000 | 60.00% |
| Human oral bioavailability | - | 0.5000 | 50.00% |
| Subcellular localzation | Mitochondria | 0.7313 | 73.13% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8448 | 84.48% |
| OATP1B3 inhibitior | + | 0.9304 | 93.04% |
| MATE1 inhibitior | - | 0.8400 | 84.00% |
| OCT2 inhibitior | - | 0.8572 | 85.72% |
| BSEP inhibitior | + | 0.7436 | 74.36% |
| P-glycoprotein inhibitior | - | 0.6027 | 60.27% |
| P-glycoprotein substrate | - | 0.6009 | 60.09% |
| CYP3A4 substrate | + | 0.5173 | 51.73% |
| CYP2C9 substrate | - | 0.5226 | 52.26% |
| CYP2D6 substrate | - | 0.8758 | 87.58% |
| CYP3A4 inhibition | - | 0.8041 | 80.41% |
| CYP2C9 inhibition | - | 0.5948 | 59.48% |
| CYP2C19 inhibition | - | 0.5837 | 58.37% |
| CYP2D6 inhibition | - | 0.9293 | 92.93% |
| CYP1A2 inhibition | + | 0.6218 | 62.18% |
| CYP2C8 inhibition | - | 0.6448 | 64.48% |
| CYP inhibitory promiscuity | + | 0.6464 | 64.64% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9400 | 94.00% |
| Carcinogenicity (trinary) | Non-required | 0.6754 | 67.54% |
| Eye corrosion | - | 0.9906 | 99.06% |
| Eye irritation | - | 0.8564 | 85.64% |
| Skin irritation | - | 0.8261 | 82.61% |
| Skin corrosion | - | 0.9398 | 93.98% |
| Ames mutagenesis | - | 0.6054 | 60.54% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4417 | 44.17% |
| Micronuclear | + | 0.6200 | 62.00% |
| Hepatotoxicity | + | 0.6375 | 63.75% |
| skin sensitisation | - | 0.8809 | 88.09% |
| Respiratory toxicity | + | 0.6333 | 63.33% |
| Reproductive toxicity | + | 0.7111 | 71.11% |
| Mitochondrial toxicity | + | 0.7875 | 78.75% |
| Nephrotoxicity | + | 0.4857 | 48.57% |
| Acute Oral Toxicity (c) | III | 0.5943 | 59.43% |
| Estrogen receptor binding | - | 0.5404 | 54.04% |
| Androgen receptor binding | + | 0.8088 | 80.88% |
| Thyroid receptor binding | - | 0.6545 | 65.45% |
| Glucocorticoid receptor binding | + | 0.6710 | 67.10% |
| Aromatase binding | - | 0.6150 | 61.50% |
| PPAR gamma | + | 0.7517 | 75.17% |
| Honey bee toxicity | - | 0.9464 | 94.64% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | + | 0.5050 | 50.50% |
| Fish aquatic toxicity | + | 0.9422 | 94.22% |
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 |
|---|---|---|---|---|
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.83% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.77% | 94.80% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.75% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.26% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.26% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.54% | 89.63% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.44% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.72% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.54% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.33% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.05% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.16% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.61% | 91.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.54% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139585390 |
| LOTUS | LTS0256033 |
| wikiData | Q77421387 |