Sorazolon C
| Internal ID | 72b5a863-40b5-4c55-9016-ab49628e427b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 2-methyl-9H-carbazole-1-carbaldehyde |
| SMILES (Canonical) | CC1=C(C2=C(C=C1)C3=CC=CC=C3N2)C=O |
| SMILES (Isomeric) | CC1=C(C2=C(C=C1)C3=CC=CC=C3N2)C=O |
| InChI | InChI=1S/C14H11NO/c1-9-6-7-11-10-4-2-3-5-13(10)15-14(11)12(9)8-16/h2-8,15H,1H3 |
| InChI Key | DMFMAEDMPAOSTI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.24 g/mol |
| Exact Mass | 209.084063974 g/mol |
| Topological Polar Surface Area (TPSA) | 32.90 Ų |
| XlogP | 3.20 |
| Atomic LogP (AlogP) | 3.44 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| CHEMBL3797604 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 1.0000 | 100.00% |
| Caco-2 | + | 0.7500 | 75.00% |
| Blood Brain Barrier | + | 0.9500 | 95.00% |
| Human oral bioavailability | + | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.6064 | 60.64% |
| OATP2B1 inhibitior | - | 0.8609 | 86.09% |
| OATP1B1 inhibitior | + | 0.8557 | 85.57% |
| OATP1B3 inhibitior | + | 0.9646 | 96.46% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | + | 0.7013 | 70.13% |
| P-glycoprotein inhibitior | - | 0.9070 | 90.70% |
| P-glycoprotein substrate | - | 0.8895 | 88.95% |
| CYP3A4 substrate | - | 0.5266 | 52.66% |
| CYP2C9 substrate | + | 0.5973 | 59.73% |
| CYP2D6 substrate | - | 0.8413 | 84.13% |
| CYP3A4 inhibition | + | 0.5772 | 57.72% |
| CYP2C9 inhibition | + | 0.7071 | 70.71% |
| CYP2C19 inhibition | + | 0.9148 | 91.48% |
| CYP2D6 inhibition | - | 0.5651 | 56.51% |
| CYP1A2 inhibition | + | 0.9746 | 97.46% |
| CYP2C8 inhibition | - | 0.6405 | 64.05% |
| CYP inhibitory promiscuity | + | 0.7781 | 77.81% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7700 | 77.00% |
| Carcinogenicity (trinary) | Non-required | 0.5279 | 52.79% |
| Eye corrosion | - | 0.9873 | 98.73% |
| Eye irritation | + | 0.7996 | 79.96% |
| Skin irritation | - | 0.5345 | 53.45% |
| Skin corrosion | - | 0.9745 | 97.45% |
| Ames mutagenesis | + | 0.7656 | 76.56% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5836 | 58.36% |
| Micronuclear | + | 0.7659 | 76.59% |
| Hepatotoxicity | + | 0.6500 | 65.00% |
| skin sensitisation | - | 0.7439 | 74.39% |
| Respiratory toxicity | - | 0.6556 | 65.56% |
| Reproductive toxicity | + | 0.7333 | 73.33% |
| Mitochondrial toxicity | - | 0.7250 | 72.50% |
| Nephrotoxicity | + | 0.4600 | 46.00% |
| Acute Oral Toxicity (c) | III | 0.7589 | 75.89% |
| Estrogen receptor binding | + | 0.9318 | 93.18% |
| Androgen receptor binding | + | 0.6666 | 66.66% |
| Thyroid receptor binding | + | 0.5617 | 56.17% |
| Glucocorticoid receptor binding | + | 0.9425 | 94.25% |
| Aromatase binding | + | 0.8869 | 88.69% |
| PPAR gamma | + | 0.5718 | 57.18% |
| Honey bee toxicity | - | 0.9040 | 90.40% |
| Biodegradation | - | 0.8750 | 87.50% |
| Crustacea aquatic toxicity | + | 0.5900 | 59.00% |
| Fish aquatic toxicity | + | 0.8048 | 80.48% |
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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.88% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.50% | 91.49% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 91.08% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.04% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.43% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.11% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.15% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.00% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.10% | 91.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.74% | 93.65% |
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 | 127047666 |
| LOTUS | LTS0173725 |
| wikiData | Q103818509 |