2-Phenylamino-1,4-naphthoquinone
| Internal ID | 4a26504f-5a6f-47f0-8d93-335fdad49508 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-anilinonaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H |
| InChI Key | OPECBHGHSFBITB-UHFFFAOYSA-N |
| Popularity | 34 references in papers |
| Molecular Formula | C16H11NO2 |
| Molecular Weight | 249.26 g/mol |
| Exact Mass | 249.078978594 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 2.80 |
| RefChem:465235 |
| 2-Anilino-1,4-naphthoquinone |
| 6628-97-3 |
| 2-(phenylamino)naphthalene-1,4-dione |
| 2-anilinonaphthalene-1,4-dione |
| MLS001048869 |
| SMR000387072 |
| 2-Anilinonaphthoquinone |
| CCRIS 6674 |
| NSC59789 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL5514 | P42858 | Huntingtin |
11220.2 nM |
Potency |
via CMAUP
|
| CHEMBL1287622 | Q9Y468 | Lethal(3)malignant brain tumor-like protein 1 |
2511.9 nM |
Potency |
via CMAUP
|
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
7079.5 nM |
Potency |
via CMAUP
|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein |
1778.3 nM |
Potency |
via CMAUP
|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
17.8 nM 17.8 nM |
Potency Potency |
via Super-PRED
via CMAUP |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A |
1000 nM |
Potency |
via CMAUP
|
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
12589.3 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.83% | 98.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 90.39% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.07% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.28% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.16% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.99% | 93.03% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.07% | 94.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.99% | 98.75% |
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.
| Lygodium japonicum |
| PubChem | 81124 |
| NPASS | NPC192533 |
| ChEMBL | CHEMBL84010 |