L-Tryptophanamide
| Internal ID | ab009355-0985-44e3-870a-6444f6d36ffd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Tryptamines and derivatives |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 |
| InChI Key | JLSKPBDKNIXMBS-VIFPVBQESA-N |
| Popularity | 102 references in papers |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.24 g/mol |
| Exact Mass | 203.105862047 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 0.60 |
| Atomic LogP (AlogP) | 0.52 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 3 |
| Tryptophanamide |
| 20696-57-5 |
| (S)-2-Amino-3-(1H-indol-3-yl)propanamide |
| S-Tryptophanamide |
| (S)-alpha-Amino-1H-indole-3-propionamide |
| Tryptophanamide, L- |
| L-tryptophan amide |
| CHEBI:16533 |
| Trp-NH2 |
| (2S)-2-amino-3-(1H-indol-3-yl)propanamide |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9961 | 99.61% |
| Caco-2 | + | 0.6638 | 66.38% |
| Blood Brain Barrier | + | 0.7750 | 77.50% |
| Human oral bioavailability | + | 0.7429 | 74.29% |
| Subcellular localzation | Nucleus | 0.4856 | 48.56% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9704 | 97.04% |
| OATP1B3 inhibitior | + | 0.9516 | 95.16% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | + | 0.5961 | 59.61% |
| P-glycoprotein inhibitior | - | 0.9868 | 98.68% |
| P-glycoprotein substrate | - | 0.8991 | 89.91% |
| CYP3A4 substrate | - | 0.6092 | 60.92% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.6569 | 65.69% |
| CYP3A4 inhibition | - | 0.6832 | 68.32% |
| CYP2C9 inhibition | - | 0.8905 | 89.05% |
| CYP2C19 inhibition | - | 0.7601 | 76.01% |
| CYP2D6 inhibition | - | 0.6219 | 62.19% |
| CYP1A2 inhibition | + | 0.5408 | 54.08% |
| CYP2C8 inhibition | - | 0.8492 | 84.92% |
| CYP inhibitory promiscuity | + | 0.5459 | 54.59% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8200 | 82.00% |
| Carcinogenicity (trinary) | Non-required | 0.7012 | 70.12% |
| Eye corrosion | - | 0.9906 | 99.06% |
| Eye irritation | - | 0.9492 | 94.92% |
| Skin irritation | - | 0.7850 | 78.50% |
| Skin corrosion | - | 0.9514 | 95.14% |
| Ames mutagenesis | - | 0.7900 | 79.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5884 | 58.84% |
| Micronuclear | + | 0.7000 | 70.00% |
| Hepatotoxicity | + | 0.5198 | 51.98% |
| skin sensitisation | - | 0.9127 | 91.27% |
| Respiratory toxicity | + | 0.7444 | 74.44% |
| Reproductive toxicity | + | 0.9000 | 90.00% |
| Mitochondrial toxicity | + | 0.7125 | 71.25% |
| Nephrotoxicity | - | 0.8895 | 88.95% |
| Acute Oral Toxicity (c) | III | 0.6753 | 67.53% |
| Estrogen receptor binding | - | 0.5819 | 58.19% |
| Androgen receptor binding | - | 0.7728 | 77.28% |
| Thyroid receptor binding | - | 0.6567 | 65.67% |
| Glucocorticoid receptor binding | + | 0.5890 | 58.90% |
| Aromatase binding | + | 0.6010 | 60.10% |
| PPAR gamma | - | 0.5747 | 57.47% |
| Honey bee toxicity | - | 0.9168 | 91.68% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | - | 0.8049 | 80.49% |
| Fish aquatic toxicity | - | 0.8467 | 84.67% |
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 | 97.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.66% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.66% | 88.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.37% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.12% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.67% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.64% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.77% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.97% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.92% | 98.59% |
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 | 439356 |
| LOTUS | LTS0208848 |
| wikiData | Q27095301 |