Dimethyl fluorophosphate
| Internal ID | 0e2c1938-c400-44f8-baea-676dde7b79b0 |
| Taxonomy | Organic acids and derivatives > Organic phosphoric acids and derivatives > Phosphate esters |
| IUPAC Name | [fluoro(methoxy)phosphoryl]oxymethane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C2H6FO3P/c1-5-7(3,4)6-2/h1-2H3 |
| InChI Key | XCTATYNREGBPBO-UHFFFAOYSA-N |
| Popularity | 22 references in papers |
| Molecular Formula | C2H6FO3P |
| Molecular Weight | 128.04 g/mol |
| Exact Mass | 128.00385921 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | -0.10 |
| Atomic LogP (AlogP) | 1.36 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 2 |
| 5954-50-7 |
| Dimethyl fluorophosphate |
| Fluophosphoric acid, dimethyl ester |
| Dimethylfluorfosfat |
| Dimethylfluorfosfat [Czech] |
| PF-1 |
| TL 311 |
| Phosphorofluoridic acid, dimethyl ester |
| BRN 1702234 |
| T-1035 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9555 | 95.55% |
| Caco-2 | + | 0.5148 | 51.48% |
| Blood Brain Barrier | + | 0.9000 | 90.00% |
| Human oral bioavailability | + | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.8281 | 82.81% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9775 | 97.75% |
| OATP1B3 inhibitior | + | 0.9521 | 95.21% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9543 | 95.43% |
| P-glycoprotein inhibitior | - | 0.9811 | 98.11% |
| P-glycoprotein substrate | - | 0.9937 | 99.37% |
| CYP3A4 substrate | - | 0.6660 | 66.60% |
| CYP2C9 substrate | - | 0.8208 | 82.08% |
| CYP2D6 substrate | - | 0.7565 | 75.65% |
| CYP3A4 inhibition | - | 0.9535 | 95.35% |
| CYP2C9 inhibition | - | 0.8631 | 86.31% |
| CYP2C19 inhibition | - | 0.7267 | 72.67% |
| CYP2D6 inhibition | - | 0.9176 | 91.76% |
| CYP1A2 inhibition | - | 0.8013 | 80.13% |
| CYP2C8 inhibition | - | 0.9880 | 98.80% |
| CYP inhibitory promiscuity | - | 0.9535 | 95.35% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | + | 0.5768 | 57.68% |
| Carcinogenicity (trinary) | Non-required | 0.5358 | 53.58% |
| Eye corrosion | - | 0.8176 | 81.76% |
| Eye irritation | + | 0.8376 | 83.76% |
| Skin irritation | + | 0.7512 | 75.12% |
| Skin corrosion | + | 0.5458 | 54.58% |
| Ames mutagenesis | - | 0.8400 | 84.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6699 | 66.99% |
| Micronuclear | + | 0.5600 | 56.00% |
| Hepatotoxicity | - | 0.6091 | 60.91% |
| skin sensitisation | - | 0.7069 | 70.69% |
| Respiratory toxicity | - | 0.8556 | 85.56% |
| Reproductive toxicity | + | 0.5586 | 55.86% |
| Mitochondrial toxicity | - | 0.5250 | 52.50% |
| Nephrotoxicity | + | 0.8314 | 83.14% |
| Acute Oral Toxicity (c) | I | 0.7192 | 71.92% |
| Estrogen receptor binding | - | 0.9225 | 92.25% |
| Androgen receptor binding | - | 0.9177 | 91.77% |
| Thyroid receptor binding | - | 0.8694 | 86.94% |
| Glucocorticoid receptor binding | - | 0.9077 | 90.77% |
| Aromatase binding | - | 0.7938 | 79.38% |
| PPAR gamma | - | 0.8918 | 89.18% |
| Honey bee toxicity | + | 0.9801 | 98.01% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | + | 0.6900 | 69.00% |
| Fish aquatic toxicity | + | 0.6898 | 68.98% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.66% | 96.09% |
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 | 80052 |
| LOTUS | LTS0270843 |
| wikiData | Q82959421 |