Foscarnet
| Internal ID | 65ba1489-8449-4b0e-bd2b-910a6c46839d |
| Taxonomy | Organic acids and derivatives > Organic phosphonic acids and derivatives > Organic phosphonic acids |
| IUPAC Name | phosphonoformic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6) |
| InChI Key | ZJAOAACCNHFJAH-UHFFFAOYSA-N |
| Popularity | 5,975 references in papers |
| Molecular Formula | CH3O5P |
| Molecular Weight | 126.01 g/mol |
| Exact Mass | 125.97181019 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | -2.00 |
| Atomic LogP (AlogP) | -0.16 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 1 |
| Phosphonoformic acid |
| Phosphonoformate |
| Carboxyphosphonic acid |
| 4428-95-9 |
| Foscarmet |
| phosphonocarboxylic acid |
| phosphonomethanoic acid |
| 364P9RVW4X |
| J05AD01 |
| Phosphinecarboxylic acid, dihydroxy-, oxide |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.9145 | 91.45% |
| Caco-2 | - | 0.8204 | 82.04% |
| Blood Brain Barrier | + | 0.9500 | 95.00% |
| Human oral bioavailability | - | 0.9571 | 95.71% |
| Subcellular localzation | Mitochondria | 0.8411 | 84.11% |
| OATP2B1 inhibitior | - | 0.8658 | 86.58% |
| OATP1B1 inhibitior | + | 0.9743 | 97.43% |
| OATP1B3 inhibitior | + | 0.9494 | 94.94% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9672 | 96.72% |
| P-glycoprotein inhibitior | - | 0.9796 | 97.96% |
| P-glycoprotein substrate | - | 0.9971 | 99.71% |
| CYP3A4 substrate | - | 0.8027 | 80.27% |
| CYP2C9 substrate | - | 0.8000 | 80.00% |
| CYP2D6 substrate | - | 0.8033 | 80.33% |
| CYP3A4 inhibition | - | 0.9608 | 96.08% |
| CYP2C9 inhibition | - | 0.9124 | 91.24% |
| CYP2C19 inhibition | - | 0.9202 | 92.02% |
| CYP2D6 inhibition | - | 0.9086 | 90.86% |
| CYP1A2 inhibition | - | 0.8825 | 88.25% |
| CYP2C8 inhibition | - | 0.9971 | 99.71% |
| CYP inhibitory promiscuity | - | 0.9960 | 99.60% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6342 | 63.42% |
| Carcinogenicity (trinary) | Non-required | 0.6655 | 66.55% |
| Eye corrosion | + | 0.9206 | 92.06% |
| Eye irritation | - | 0.5681 | 56.81% |
| Skin irritation | + | 0.5291 | 52.91% |
| Skin corrosion | + | 0.8939 | 89.39% |
| Ames mutagenesis | - | 0.7400 | 74.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8666 | 86.66% |
| Micronuclear | + | 0.5900 | 59.00% |
| Hepatotoxicity | - | 0.7750 | 77.50% |
| skin sensitisation | - | 0.6857 | 68.57% |
| Respiratory toxicity | + | 0.8889 | 88.89% |
| Reproductive toxicity | - | 0.7470 | 74.70% |
| Mitochondrial toxicity | + | 0.9375 | 93.75% |
| Nephrotoxicity | + | 0.7301 | 73.01% |
| Acute Oral Toxicity (c) | III | 0.7304 | 73.04% |
| Estrogen receptor binding | - | 0.8825 | 88.25% |
| Androgen receptor binding | - | 0.9157 | 91.57% |
| Thyroid receptor binding | - | 0.7964 | 79.64% |
| Glucocorticoid receptor binding | - | 0.8787 | 87.87% |
| Aromatase binding | - | 0.8786 | 87.86% |
| PPAR gamma | - | 0.8595 | 85.95% |
| Honey bee toxicity | - | 0.8055 | 80.55% |
| Biodegradation | + | 0.5250 | 52.50% |
| Crustacea aquatic toxicity | - | 0.8100 | 81.00% |
| Fish aquatic toxicity | + | 0.8182 | 81.82% |
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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.80% | 87.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.03% | 81.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 3415 |
| LOTUS | LTS0038082 |
| wikiData | Q420387 |