| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 23 | Yes |
Popular Name: Piroxicam Piroxicam
Find On: PubMed — Wikipedia — Google
CAS Numbers: 36322-90-4 , 36322-90-4; 96684-40-1 , 85056-47-9 , 96684-40-1 , [36322-90-4]
(3E)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxo-1
(4-Hydroxy-2-methyl-1,1-dioxobenzo[e]1,2-thiazin-3-yl)-N-(2-pyridyl)carboxamide
2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
3-[hydroxy(pyridin-2-ylamino)methylidene]-2-methyl-3,4-dihydro-2H-1
36322-90-4; D00127; Feldene (TN); Piroxicam (JP16/USP/INN)
36322-90-4; Piroxicam; Prestwick_573
4-Hydroxy-2-methyl-3-(pyrid-2-yl-carbamoyl)-2H-1,2-benzothiazine 1,1-dioxide
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazin-3-caboxyamid-1,1-dioxid
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazin-3-caboxyamid-1,1-dioxid [German]
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
4-Hydroxy-2-methyl-N-(pyridin-2-yl)-2H-benzo[e][1,2]thiazine-3-carboxamide 1,1-dioxide
4-Hydroxy-2-methyl-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
4-hydroxy-2-methyl-N-pyridin-2-yl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
85056-47-9; D05513; Piroxicam olamine (USAN)
CPD000449291; Piroxicam; SAM001247048
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.06 | 3.62 | -52.26 | 1 | 7 | -1 | 102 | 330.345 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 4.62 | -20.35 | 1 | 7 | 0 | 96 | 331.353 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.43e-01 g/l | DrugBank-approved |
| MP | 201 | TCI |
| ALOGPS_SOLUBILITY | 6.05e-02 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Therapy | antiinflammatory | SMDC Iconix |
| biological_use | Antiinflammatory agent | IBScreen Bioactives |
| Indications | arthritis | KeyOrganics Bioactives |
| Target | COX | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100486; .25 water | NIH Clinical Collection via PubChem |
| mechanism | Piroxicam also inhibits the migration of leukocytes into sites of inflammation and prevents the formation of thromboxane A2, an aggregating agent, by the platelets | IBScreen Bioactives |
| mechanism | Piroxicam blocks the Cox-1 enzyme, resulting into the disruption of production of prostaglandins. | IBScreen Bioactives |
| mechanism | Reversible inhibitor of cyclooxygenase, causing the peripheral inhibition of prostaglandin synthesis. | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100486; SALT: .25 water | NIH Clinical Collection via PubChem |
| mechanism | The prostaglandins are produced by an enzyme called Cox-1. | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH1-1-E | Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 100 | 0.43 | Binding ≤ 10μM |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 100 | 0.43 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 100 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 100 | 0.43 | Binding ≤ 1μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 100 | 0.43 | Binding ≤ 1μM |
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 100 | 0.43 | Binding ≤ 10μM |
| PGH1_HUMAN | P23219 | Cyclooxygenase-1, Human | 1300 | 0.36 | Binding ≤ 10μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 100 | 0.43 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 100 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| COX reactions | |
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
