| Compound Information | SONAR Target prediction |
| Name: | AMINOLEVULINIC ACID HYDROCHLORIDE |
| Unique Identifier: | SPE01504184 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 157.511 g/mol |
| X log p: | -1.743 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | Cl.NCC(=O)CCC(O)=O |
| Source: | synthetic |
| Therapeutics: | antineoplastic |
| Generic_name: | Aminolevulinic Acid |
| Chemical_iupac_name: | 5-amino-4-oxo-pentanoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA10015 |
| Kegg_compound_id: | C00430 |
| Drugbank_id: | APRD00793 |
| Melting_point: | 156-158 oC |
| H2o_solubility: | Very soluble |
| Logp: | -1.363 |
| Cas_registry_number: | 106-60-5 |
| Drug_category: | Photosensitizing Agents; ATC:L01XD04 |
| Indication: | Aminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp. |
| Pharmacology: | The metabolism of aminolevulinic acid (ALA) is the first step in the biochemical pathway resulting in heme synthesis. Aminolevulinic acid is not a photosensitizer, but rather a metabolic precursor of protoporphyrin IX (PpIX), which is a photosensitizer. The synthesis of ALA is normally tightly controlled by feedback inhibition of the enzyme, ALA synthetase, presumably by intracellular heme levels. ALA, when provided to the cell, bypasses this control point and results in the accumulation of PpIX, which is converted into heme by ferrochelatase through the addition of iron to the PpIX nucleus. |
| Mechanism_of_action: | According to the presumed mechanism of action, photosensitization following application of aminolevulinic acid (ALA) topical solution occurs through the metabolic conversion of ALA to protoporphyrin IX (PpIX), which accumulates in the skin to which aminolevulinic acid has been applied. When exposed to light of appropriate wavelength and energy, the accumulated PpIX produces a photodynamic reaction, a cytotoxic process dependent upon the simultaneous presence of light and oxygen. The absorption of light results in an excited state of the porphyrin molecule, and subsequent spin transfer from PpIX to molecular oxygen generates singlet oxygen, which can further react to form superoxide and hydroxyl radicals. Photosensitization of actinic (solar) keratosis lesions using aminolevulinic acid, plus illumination with the BLU-UTM Blue Light Photodynamic Therapy Illuminator (BLU-U), is the basis for aminolevulinic acid photodynamic therapy (PDT). |
| 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: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7128±0.0053033 |
| Normalized OD Score: sc h | 0.9798±0.0113288 |
| Z-Score: | -1.0809±0.625662 |
| p-Value: | 0.325432 |
| Z-Factor: | -4.06202 |
| Fitness Defect: | 1.1226 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 137 | 5-amino-4-oxo-pentanoic acid |
| 123608 | 5-amino-4-oxo-pentanoic acid hydrochloride |
| 7048523 | 5-azaniumyl-4-oxo-pentanoate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 208 | Additional Members: 2 | Rows returned: 1 |
| SPE01502098 | 0 |
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