2,2'-Biindolyl
| Internal ID | f442da57-d266-46c5-8e77-004e7ea575ea |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 2-(1H-indol-2-yl)-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H12N2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10,17-18H |
| InChI Key | FFBLFXFOMFDJLS-UHFFFAOYSA-N |
| Popularity | 34 references in papers |
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.100048391 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 3.90 |
| Atomic LogP (AlogP) | 4.32 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 1 |
| 40899-99-8 |
| 1H,1'H-2,2'-Biindole |
| 2-(1H-indol-2-yl)-1H-indole |
| 2,2'-Bi-1H-indole |
| 2,2'-bisindole |
| SCHEMBL374022 |
| 1H,1'H-[2,2']Biindolyl |
| DTXSID80452205 |
| AKOS016344666 |
| BB 0262890 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9970 | 99.70% |
| Caco-2 | + | 0.5932 | 59.32% |
| Blood Brain Barrier | + | 0.8000 | 80.00% |
| Human oral bioavailability | + | 0.6714 | 67.14% |
| Subcellular localzation | Nucleus | 0.4775 | 47.75% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9545 | 95.45% |
| OATP1B3 inhibitior | + | 0.9537 | 95.37% |
| MATE1 inhibitior | - | 0.8400 | 84.00% |
| OCT2 inhibitior | - | 0.7750 | 77.50% |
| BSEP inhibitior | + | 0.8783 | 87.83% |
| P-glycoprotein inhibitior | - | 0.8595 | 85.95% |
| P-glycoprotein substrate | - | 0.9906 | 99.06% |
| CYP3A4 substrate | - | 0.7647 | 76.47% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | + | 0.3654 | 36.54% |
| CYP3A4 inhibition | - | 0.6301 | 63.01% |
| CYP2C9 inhibition | + | 0.5895 | 58.95% |
| CYP2C19 inhibition | + | 0.6844 | 68.44% |
| CYP2D6 inhibition | + | 0.5000 | 50.00% |
| CYP1A2 inhibition | + | 0.8450 | 84.50% |
| CYP2C8 inhibition | - | 0.8160 | 81.60% |
| CYP inhibitory promiscuity | + | 0.8600 | 86.00% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8400 | 84.00% |
| Carcinogenicity (trinary) | Non-required | 0.6000 | 60.00% |
| Eye corrosion | - | 0.9727 | 97.27% |
| Eye irritation | + | 0.9593 | 95.93% |
| Skin irritation | - | 0.6219 | 62.19% |
| Skin corrosion | - | 0.9280 | 92.80% |
| Ames mutagenesis | - | 0.5700 | 57.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5310 | 53.10% |
| Micronuclear | + | 0.8700 | 87.00% |
| Hepatotoxicity | + | 0.7625 | 76.25% |
| skin sensitisation | - | 0.8909 | 89.09% |
| Respiratory toxicity | - | 0.7222 | 72.22% |
| Reproductive toxicity | + | 0.7889 | 78.89% |
| Mitochondrial toxicity | - | 0.7500 | 75.00% |
| Nephrotoxicity | + | 0.4694 | 46.94% |
| Acute Oral Toxicity (c) | III | 0.5263 | 52.63% |
| Estrogen receptor binding | + | 0.9530 | 95.30% |
| Androgen receptor binding | + | 0.7814 | 78.14% |
| Thyroid receptor binding | + | 0.8641 | 86.41% |
| Glucocorticoid receptor binding | + | 0.8255 | 82.55% |
| Aromatase binding | + | 0.9547 | 95.47% |
| PPAR gamma | + | 0.8821 | 88.21% |
| Honey bee toxicity | - | 0.9566 | 95.66% |
| Biodegradation | - | 0.9750 | 97.50% |
| Crustacea aquatic toxicity | + | 0.8700 | 87.00% |
| Fish aquatic toxicity | + | 0.7710 | 77.10% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.47% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.58% | 94.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.09% | 85.49% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 82.44% | 81.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.20% | 82.69% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.13% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.58% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.89% | 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.
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| There are no matching plants. |
| PubChem | 11020756 |
| LOTUS | LTS0084792 |
| wikiData | Q82272671 |