3,6-Dibromocarbazole
| Internal ID | fd65b898-2789-43ca-8112-289f8873fc63 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives > Brominated biphenyls > Polybrominated biphenyls |
| IUPAC Name | 3,6-dibromo-9H-carbazole |
| SMILES (Canonical) | C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br |
| SMILES (Isomeric) | C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br |
| InChI | InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H |
| InChI Key | FIHILUSWISKVSR-UHFFFAOYSA-N |
| Popularity | 55 references in papers |
| Molecular Formula | C12H7Br2N |
| Molecular Weight | 325.00 g/mol |
| Exact Mass | 324.89247 g/mol |
| Topological Polar Surface Area (TPSA) | 15.80 Ų |
| XlogP | 4.80 |
| Atomic LogP (AlogP) | 4.85 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 0 |
| 6825-20-3 |
| 3,6-Dibromo-9H-carbazole |
| 9H-Carbazole, 3,6-dibromo- |
| 3,6-dibromo-carbazole |
| MFCD00004961 |
| Carbazole, 3,6-dibromo- |
| NSC121206 |
| SCHEMBL38602 |
| 3,6,-dibromo-9H-carbazole |
| 3,6-dibromo-9-H-carbazole |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 1.0000 | 100.00% |
| Caco-2 | + | 0.7278 | 72.78% |
| Blood Brain Barrier | + | 0.9500 | 95.00% |
| Human oral bioavailability | + | 0.6286 | 62.86% |
| Subcellular localzation | Lysosomes | 0.7826 | 78.26% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9141 | 91.41% |
| OATP1B3 inhibitior | + | 0.9559 | 95.59% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | + | 0.6953 | 69.53% |
| P-glycoprotein inhibitior | - | 0.9394 | 93.94% |
| P-glycoprotein substrate | - | 0.9815 | 98.15% |
| CYP3A4 substrate | - | 0.7310 | 73.10% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.6910 | 69.10% |
| CYP3A4 inhibition | - | 0.7492 | 74.92% |
| CYP2C9 inhibition | + | 0.8227 | 82.27% |
| CYP2C19 inhibition | + | 0.9324 | 93.24% |
| CYP2D6 inhibition | - | 0.8196 | 81.96% |
| CYP1A2 inhibition | + | 0.9472 | 94.72% |
| CYP2C8 inhibition | - | 0.8599 | 85.99% |
| CYP inhibitory promiscuity | + | 0.7941 | 79.41% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7138 | 71.38% |
| Carcinogenicity (trinary) | Non-required | 0.5949 | 59.49% |
| Eye corrosion | - | 0.8283 | 82.83% |
| Eye irritation | + | 0.9912 | 99.12% |
| Skin irritation | - | 0.5132 | 51.32% |
| Skin corrosion | - | 0.9309 | 93.09% |
| Ames mutagenesis | - | 0.6600 | 66.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5389 | 53.89% |
| Micronuclear | + | 0.8700 | 87.00% |
| Hepatotoxicity | + | 0.7427 | 74.27% |
| skin sensitisation | - | 0.6775 | 67.75% |
| Respiratory toxicity | - | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.6667 | 66.67% |
| Mitochondrial toxicity | - | 0.9072 | 90.72% |
| Nephrotoxicity | - | 0.6979 | 69.79% |
| Acute Oral Toxicity (c) | III | 0.5620 | 56.20% |
| Estrogen receptor binding | + | 0.8667 | 86.67% |
| Androgen receptor binding | + | 0.5773 | 57.73% |
| Thyroid receptor binding | + | 0.8140 | 81.40% |
| Glucocorticoid receptor binding | + | 0.9258 | 92.58% |
| Aromatase binding | + | 0.7901 | 79.01% |
| PPAR gamma | + | 0.8935 | 89.35% |
| Honey bee toxicity | - | 0.9425 | 94.25% |
| Biodegradation | - | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | + | 0.7500 | 75.00% |
| Fish aquatic toxicity | + | 0.9268 | 92.68% |
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 |
|---|---|---|---|---|
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 95.24% | 96.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.80% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.46% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.31% | 93.99% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.03% | 85.49% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.71% | 97.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.69% | 93.24% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.84% | 97.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.65% | 89.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.55% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.24% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.16% | 91.71% |
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 | 274874 |
| LOTUS | LTS0040374 |
| wikiData | Q72464025 |