Stem definition | Drug id | CAS RN |
---|---|---|
catechol-O-methyltransferase (COMT) inhibitors | 2697 | 134308-13-7 |
Dose | Unit | Route |
---|---|---|
0.45 | g | O |
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 ยตM/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 |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 29, 1998 | FDA | VALEANT PHARMS LLC |
None
None
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 | 57.96 | 49.10 | 10 | 322 | 2719 | 79741337 |
None
Source | Code | Description |
---|---|---|
ATC | N04BX01 | NERVOUS SYSTEM ANTI-PARKINSON DRUGS DOPAMINERGIC AGENTS Other dopaminergic agents |
MeSH PA | D018726 | Anti-Dyskinesia Agents |
MeSH PA | D000978 | Antiparkinson Agents |
MeSH PA | D065098 | Catechol O-Methyltransferase Inhibitors |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D004791 | Enzyme Inhibitors |
FDA MoA | N0000175756 | Catechol O-Methyltransferase Inhibitors |
FDA EPC | N0000175757 | Catechol-O-Methyltransferase Inhibitor |
CHEBI has role | CHEBI:48406 | catechol O-methyltransferase inhibitors |
CHEBI has role | CHEBI:48407 | antiparkinson agent |
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 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 4.84 | acidic |
pKa2 | 9.54 | acidic |
None
None
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 |
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 |
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 |