4-Phenyl-[2,7]naphthyridin-1-amine
| Internal ID | 176dd8fc-d3fc-453b-b0ea-5352048c07f7 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines |
| IUPAC Name | 4-phenyl-2,7-naphthyridin-1-amine |
| SMILES (Canonical) | C1=CC=C(C=C1)C2=CN=C(C3=C2C=CN=C3)N |
| SMILES (Isomeric) | C1=CC=C(C=C1)C2=CN=C(C3=C2C=CN=C3)N |
| InChI | InChI=1S/C14H11N3/c15-14-13-8-16-7-6-11(13)12(9-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,17) |
| InChI Key | UGLZUYWXOHMUSU-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C14H11N3 |
| Molecular Weight | 221.26 g/mol |
| Exact Mass | 221.095297364 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 2.30 |
| Atomic LogP (AlogP) | 2.88 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| 4-phenyl-2,7-naphthyridin-1-amine |
| RefChem:924925 |
| 887705-28-4 |
| 4-Phenyl-[2,7]naphthyridin-1-amine |
| Lophocladines B |
| CHEMBL480873 |
| 4-phenyl[2,7]naphthyridin-1-amine |
| NSC743053 |
| NSC-743053 |
| InChI=1/C14H11N3/c15-14-13-8-16-7-6-11(13)12(9-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,17 |
![2D Structure of 4-Phenyl-[2,7]naphthyridin-1-amine](https://plantaedb.com/storage/docs/compounds/2023/11/4-phenyl-27naphthyridin-1-amine.jpg "2D Structure of 4-Phenyl-[2,7]naphthyridin-1-amine")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9961 | 99.61% |
| Caco-2 | + | 0.8299 | 82.99% |
| Blood Brain Barrier | + | 0.8500 | 85.00% |
| Human oral bioavailability | + | 0.6000 | 60.00% |
| Subcellular localzation | Lysosomes | 0.4883 | 48.83% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9759 | 97.59% |
| OATP1B3 inhibitior | + | 0.9549 | 95.49% |
| MATE1 inhibitior | - | 0.7200 | 72.00% |
| OCT2 inhibitior | + | 0.5750 | 57.50% |
| BSEP inhibitior | + | 0.5612 | 56.12% |
| P-glycoprotein inhibitior | - | 0.9137 | 91.37% |
| P-glycoprotein substrate | - | 0.8596 | 85.96% |
| CYP3A4 substrate | - | 0.7076 | 70.76% |
| CYP2C9 substrate | - | 0.7945 | 79.45% |
| CYP2D6 substrate | - | 0.8721 | 87.21% |
| CYP3A4 inhibition | + | 0.6198 | 61.98% |
| CYP2C9 inhibition | - | 0.8902 | 89.02% |
| CYP2C19 inhibition | - | 0.5643 | 56.43% |
| CYP2D6 inhibition | - | 0.9499 | 94.99% |
| CYP1A2 inhibition | + | 0.9372 | 93.72% |
| CYP2C8 inhibition | + | 0.8669 | 86.69% |
| CYP inhibitory promiscuity | + | 0.6463 | 64.63% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8000 | 80.00% |
| Carcinogenicity (trinary) | Non-required | 0.6339 | 63.39% |
| Eye corrosion | - | 0.9954 | 99.54% |
| Eye irritation | - | 0.6725 | 67.25% |
| Skin irritation | + | 0.6763 | 67.63% |
| Skin corrosion | - | 0.9569 | 95.69% |
| Ames mutagenesis | + | 0.5300 | 53.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5613 | 56.13% |
| Micronuclear | + | 0.7600 | 76.00% |
| Hepatotoxicity | + | 0.7088 | 70.88% |
| skin sensitisation | - | 0.8992 | 89.92% |
| Respiratory toxicity | + | 0.7556 | 75.56% |
| Reproductive toxicity | + | 0.8556 | 85.56% |
| Mitochondrial toxicity | + | 0.5125 | 51.25% |
| Nephrotoxicity | - | 0.6050 | 60.50% |
| Acute Oral Toxicity (c) | III | 0.7150 | 71.50% |
| Estrogen receptor binding | + | 0.9700 | 97.00% |
| Androgen receptor binding | + | 0.7790 | 77.90% |
| Thyroid receptor binding | + | 0.8504 | 85.04% |
| Glucocorticoid receptor binding | + | 0.9297 | 92.97% |
| Aromatase binding | + | 0.9758 | 97.58% |
| PPAR gamma | + | 0.7969 | 79.69% |
| Honey bee toxicity | - | 0.9033 | 90.33% |
| Biodegradation | - | 0.9750 | 97.50% |
| Crustacea aquatic toxicity | + | 0.7000 | 70.00% |
| Fish aquatic toxicity | - | 0.6913 | 69.13% |
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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.50% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.47% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.64% | 86.33% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 87.47% | 88.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.37% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.10% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.25% | 95.50% |
| CHEMBL5024 | Q13535 | Serine-protein kinase ATR | 83.84% | 95.83% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.57% | 94.08% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 83.55% | 95.50% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 82.14% | 95.72% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 81.71% | 91.73% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.22% | 89.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.09% | 96.09% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 81.03% | 87.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.10% | 96.67% |
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.
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| There are no matching plants. |
| PubChem | 11665726 |
| LOTUS | LTS0021828 |
| wikiData | Q105272426 |