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methoxsalen 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 30 | 298-81-7 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 10 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| Vd (Volume of distribution) | 0.61 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 12 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.09 % | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.02 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 0 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.336 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.091 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 79.433 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 209.411 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 10.380 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 22.030 | % | High | 1 |
| herg | hERG pIC50 | 4.377 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 25.177 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 85.507 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 7.370 | % | High | 1 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.091 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 555.904 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 12.330 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.556 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 16.540 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 85.704 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 82.020 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 7.420 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 61.235 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 3, 1954 | FDA | VALEANT PHARM INTL |
FDA Adverse Event Reporting System (Female)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Product use in unapproved indication | 297.97 | 36.98 | 98 | 424 | 336138 | 90291787 |
| Pulmonary embolism | 46.69 | 36.98 | 20 | 502 | 130800 | 90497125 |
FDA Adverse Event Reporting System (Male)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Product use in unapproved indication | 352.25 | 41.79 | 116 | 424 | 184340 | 42436455 |
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Product use in unapproved indication | 540.90 | 32.55 | 186 | 849 | 447191 | 110141073 |
| Pulmonary embolism | 45.49 | 32.55 | 27 | 1008 | 214447 | 110373817 |
| Drug effective for unapproved indication | 42.27 | 32.55 | 12 | 1023 | 14155 | 110574109 |
| Thrombosis in device | 32.71 | 32.55 | 8 | 1027 | 5319 | 110582945 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | D05AD02 | DERMATOLOGICALS ANTIPSORIATICS ANTIPSORIATICS FOR TOPICAL USE Psoralens for topical use |
| ATC | D05BA02 | DERMATOLOGICALS ANTIPSORIATICS ANTIPSORIATICS FOR SYSTEMIC USE Psoralens for systemic use |
| FDA CS | M0017973 | Psoralens |
| FDA PE | N0000009801 | Photosensitizing Activity |
| FDA MoA | N0000010217 | Photoabsorption |
| MeSH PA | D003432 | Cross-Linking Reagents |
| MeSH PA | D003879 | Dermatologic Agents |
| MeSH PA | D007202 | Indicators and Reagents |
| MeSH PA | D011838 | Radiation-Sensitizing Agents |
| MeSH PA | D017319 | Photosensitizing Agents |
| FDA EPC | N0000175879 | Psoralen |
| FDA EPC | N0000175984 | Photoactivated Radical Generator |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:47868 | photosensitizing agent |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50684 | cross-linking reagent |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
| CHEBI has role | CHEBI:76924 | plant metabolite |
Related Drugs by ATC class:
D05AD Psoralens for topical use 1 drug
D05BA Psoralens for systemic use 2 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Vitiligo | indication | 56727007 | DOID:12306 |
| Primary cutaneous T-cell lymphoma | indication | 400122007 | |
| Severe Recalcitrant Psoriasis | indication | ||
| Lichen planus | off-label use | 4776004 | DOID:9201 |
| Alopecia areata | off-label use | 68225006 | DOID:986 |
| Mycosis fungoides | off-label use | 118618005 | |
| Albinism | contraindication | 15890002 | |
| Aphakia | contraindication | 24010005 | |
| Xeroderma pigmentosum | contraindication | 44600005 | DOID:0050427 |
| Erythropoietic protoporphyria | contraindication | 51022005 | DOID:13270 |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Variegate porphyria | contraindication | 58275005 | DOID:4346 |
| Porphyria cutanea tarda | contraindication | 61860000 | DOID:3132 |
| Photosensitivity | contraindication | 90128006 | |
| Bilateral cataracts | contraindication | 95722004 | |
| Hydroa vacciniforme | contraindication | 200837006 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Basal cell carcinoma of skin | contraindication | 254701007 | |
| Pregnancy, function | contraindication | 289908002 | |
| Malignant melanoma | contraindication | 372244006 | |
| Squamous cell carcinoma | contraindication | 402815007 | DOID:1749 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Porphyria | contraindication | 418470004 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
None
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | IC50 | 6.12 | CHEMBL | |||||
| Cytochrome P450 1A2 | Enzyme | IC50 | 7.40 | DRUG MATRIX | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 4.07 | CHEMBL | |||||
| Taste receptor type 2 member 20 | GPCR | AGONIST | EC50 | 4.92 | IUPHAR | ||||
| Polyphenol oxidase 2 | Enzyme | EC50 | 4.83 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D00139 | KEGG_DRUG |
| 227713 | RXNORM |
| C0025684 | UMLSCUI |
| CHEBI:18358 | CHEBI |
| 8MO | PDB_CHEM_ID |
| CHEMBL416 | ChEMBL_ID |
| D008730 | MESH_DESCRIPTOR_UI |
| DB00553 | DRUGBANK_ID |
| 12457 | IUPHAR_LIGAND_ID |
| U4VJ29L7BQ | UNII |
| 4114 | PUBCHEM_CID |
| 11350 | MMSL |
| 1906 | MMSL |
| 44317 | MMSL |
| 5080 | MMSL |
| d01434 | MMSL |
| 4018889 | VANDF |
| 002018 | NDDF |
| 400526000 | SNOMEDCT_US |
| 41062004 | SNOMEDCT_US |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| UVADEX | HUMAN PRESCRIPTION DRUG LABEL | 1 | 64067-216 | INJECTION, SOLUTION | 20 ug | EXTRACORPOREAL | NDA | 27 sections |
| Methoxsalen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 64380-752 | CAPSULE, LIQUID FILLED | 10 mg | ORAL | ANDA | 23 sections |