| Compound Information | SONAR Target prediction |
| Name: | METHOXSALEN |
| Unique Identifier: | SPE01500400 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 208.126 g/mol |
| X log p: | 11.189 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | COc1c2occc2cc2C=CC(=O)Oc21 |
| Source: | synthetic |
| Therapeutics: | antipsoriatic, pigmentation agent |
| Generic_name: | Methoxsalen |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C01864 |
| Drugbank_id: | APRD00157 |
| Logp: | 2.336 |
| Cas_registry_number: | 298-81-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C298817&Index=0&Type=Mass&Large=on |
| Drug_category: | Antineoplastic Agents; Pigmenting Agents; ATC:D05AD02; ATC:D05BA02 |
| Indication: | For the treatment of psoriasis and vitiligo |
| Pharmacology: | Methoxsalen selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The
guanine and cytosine content correlates with the degree of Methoxsalen-induced
cross-linking. At high concentrations of the drug, cellular RNA and protein
synthesis are also suppressed. |
| Mechanism_of_action: | After activation it binds preferentially to the guanine and cytosine moieties of
DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function. |
| Organisms_affected: | Humans and other mammals |
