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tolcapone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| catechol-O-methyltransferase (COMT) inhibitors | 2697 | 134308-13-7 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Tolcapone is a selective and reversible inhibitor of catechol-O-methyltransferase (COMT). The precise mechanism of action of tolcapone is unknown, but it is believed to be related to its ability to inhibit COMT and alter the plasma pharmacokinetics of levodopa. It is believed that these sustained plasma levels of levodopa result in more constant dopaminergic stimulation in the brain, leading to greater effects on the signs and symptoms of Parkinson's disease patients.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 0.45 | g | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 12.20 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 62 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.00 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.10 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.12 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.505 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 7.430 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 22.387 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 11.803 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 1.020 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.550 | % | High | 1 |
| herg | hERG pIC50 | 4.734 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 40.926 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 24.434 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 1.200 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 76 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK1,MAPK12,MAPK7,MARK4,PDK4,PRKDC,SIK2,STK33,SYK,TEK,TTK | 24 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 9.750 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 30.620 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.460 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.040 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.570 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 63.680 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 54.990 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.940 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 872.971 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 29, 1998 | FDA | VALEANT PHARMS LLC |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
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 |
|---|---|---|---|---|---|---|
| Hyperkinesia | 65.79 | 50.29 | 11 | 350 | 3173 | 110585765 |
| Gambling disorder | 55.36 | 50.29 | 9 | 352 | 2182 | 110586756 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | N04BX01 | NERVOUS SYSTEM ANTI-PARKINSON DRUGS DOPAMINERGIC AGENTS Other dopaminergic agents |
| MeSH PA | D000978 | Antiparkinson Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018726 | Anti-Dyskinesia Agents |
| MeSH PA | D065098 | Catechol O-Methyltransferase Inhibitors |
| FDA MoA | N0000175756 | Catechol O-Methyltransferase Inhibitors |
| FDA EPC | N0000175757 | Catechol-O-Methyltransferase Inhibitor |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:48406 | EC 2.1.1.6 (catechol <em>O</em>-methyltransferase) inhibitor |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
Related Drugs by ATC class:
N04BX Other dopaminergic agents 3 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Parkinson's disease | indication | 49049000 | DOID:14330 |
| Hallucinations | contraindication | 7011001 | |
| Low blood pressure | contraindication | 45007003 | |
| Tardive dyskinesia | contraindication | 102449007 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Rhabdomyolysis | contraindication | 240131006 | |
| Malignant melanoma | contraindication | 372244006 | |
| Severe diarrhea | contraindication | 409587002 | |
| Breastfeeding (mother) | contraindication | 413712001 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.84 | acidic |
| pKa2 | 9.54 | acidic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | Enzyme | INHIBITOR | Ki | 9.57 | SCIENTIFIC LITERATURE | CHEMBL | |||
| G-protein coupled receptor 35 | GPCR | EC50 | 5.13 | CHEMBL | |||||
| Transthyretin | Secreted | Kd | 7.69 | CHEMBL | |||||
| Krueppel-like factor 10 | Nuclear other | IC50 | 4.30 | CHEMBL | |||||
| Catechol O-methyltransferase | Enzyme | IC50 | 8.66 | CHEMBL | |||||
| Bile salt export pump | Transporter | IC50 | 4.33 | CHEMBL | |||||
| Genome polyprotein [Cleaved into: Capsid protein C | Enzyme | IC50 | 6.19 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4021095 | VUID |
| N0000148551 | NUI |
| D00786 | KEGG_DRUG |
| 4021095 | VANDF |
| C0246330 | UMLSCUI |
| CHEBI:63630 | CHEBI |
| TCW | PDB_CHEM_ID |
| CHEMBL1324 | ChEMBL_ID |
| DB00323 | DRUGBANK_ID |
| D000077867 | MESH_DESCRIPTOR_UI |
| 4659569 | PUBCHEM_CID |
| 6646 | IUPHAR_LIGAND_ID |
| 6873 | INN_ID |
| CIF6334OLY | UNII |
| 153657 | RXNORM |
| 11535 | MMSL |
| 234124 | MMSL |
| 5597 | MMSL |
| d04282 | MMSL |
| 007040 | NDDF |
| 108464002 | SNOMEDCT_US |
| 386851002 | SNOMEDCT_US |
| CIF6334OLY | INXIGHT DRUGS |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Tasmar | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0187-0938 | TABLET, FILM COATED | 100 mg | ORAL | NDA | 27 sections |
| TOLCAPONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50742-193 | TABLET | 100 mg | ORAL | ANDA | 14 sections |
| Tolcapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68682-938 | TABLET, FILM COATED | 100 mg | ORAL | NDA authorized generic | 26 sections |