| Compound Information | SONAR Target prediction |
| Name: | FOLIC ACID |
| Unique Identifier: | SPE01502020 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 423.255 g/mol |
| X log p: | 6.291 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 105.36 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 13 |
| Rotatable Bond Count: | 10 |
| Canonical Smiles: | NC1Nc2ncc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2C(=O)N=1 |
| Class: | alkaloid |
| Source: | liver, kidney, green plants and fungi |
| Therapeutics: | hematopoietic vitamin |
| Generic_name: | Folic Acid |
| Chemical_iupac_name: | 2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]aminopentanedioic acid |
| Drug_type: | Experimental |
| Pharmgkb_id: | PA449692 |
| Kegg_compound_id: | C00504 |
| Drugbank_id: | EXPT01468 |
| Melting_point: | 250 oC |
| H2o_solubility: | slight |
| Cas_registry_number: | 59-30-3 |
| Drug_category: | ATC:B03BB01; Dietary supplement; Micronutrient |
| Indication: | For treatment of folic acid deficiency, megaloblastic anemia and in anemias of nutritional supplements, pregnancy, infancy, or childhood. |
| Pharmacology: | Folic acid, a water-soluble B-complex vitamin, is found in foods such as liver, kidneys, yeast, and leafy, green vegetables. Folic acid is used to diagnose folate deficiency and to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid. |
| Mechanism_of_action: | Folic acid, as it is biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by dihydrofolate reductase. These folic acid congeners are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate. Using vitamin B12 as a cofactor, folic acid can normalize high homocysteine levels by remethylation of homocysteine to methionine via methionine synthetase. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6607±0.00968736 |
| Normalized OD Score: sc h | 0.9574±0.0114474 |
| Z-Score: | -2.3176±0.656838 |
| p-Value: | 0.0346284 |
| Z-Factor: | -2.36072 |
| Fitness Defect: | 3.3631 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 3405 | 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 6037 | (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 22986 | disodium (2R)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate |
| 22987 | (2R)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 86481 | potassium (4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate |
| 1549092 | (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 5590 | Additional Members: 8 | Rows returned: 1 |
| SPE01500679 | 0 |
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