| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 23 | Yes |
Popular Name: Meloxicam Meloxicam
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1027136-06-6 , 71125-38-7 , [71125-38-7]
(3E)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxo-1
2H-1,2-benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-, 1,1-dioxide
2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-(5-methylthiazolyl)-, 1,1-dioxide
4-hydroxy-2-mehtyl-N-(5-mehtyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
4-Hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
4-Hydroxy-2-methyl-N-(5-methyl-2-thiazoyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
4-Hydroxy-2-methyl-N-(5-methylthiazol-2-yl)-2H-benzo[e][1,2]thiazine-3-carboxamide 1,1-dioxide
71125-38-7; CPD000718800; Meloxicam; SAM002589991
71125-38-7; D00969; Meloxicam (JAN/USAN/INN); Mobic (TN)
Boehringer Ingelheim brand of meloxicam
CPD000718800; Meloxicam; SAM002589991
| 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) | 2.24 | 4.31 | -59.4 | 1 | 7 | -1 | 102 | 350.401 | 2 | ↓ |
| Ref Reference (pH 7) | 1.06 | 2.63 | -49.87 | 1 | 7 | -1 | 102 | 350.401 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | -0.51 | -48.5 | 1 | 7 | -1 | 106 | 350.401 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 4.29 | -57.92 | 1 | 7 | -1 | 106 | 350.401 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 4.35 | -57.84 | 1 | 7 | -1 | 102 | 350.401 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.54e-01 g/l | DrugBank-approved |
| MP | 255 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | >99% | Fluorochem |
| biological_use | Analgesic | IBScreen Bioactives |
| Indications | analgesic, antipyretic, NSAID | KeyOrganics Bioactives |
| biological_use | Analgesic | IBScreen Bioactives |
| Therapy | antiinflammatory | SMDC Iconix |
| biological_use | Antiinflammatory agent | IBScreen Bioactives |
| biological_use | Antipyretic | IBScreen Bioactives |
| Target | COX | Selleck Chemicals |
| mechanism | Cyclooxygenase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : M-1113; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| mechanism | Prostaglandin antagonist | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: M-1113; SUPPLIER_COMMENTS: YELLOW POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH1-1-E | Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2200 | 0.34 | Binding ≤ 10μM |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 700 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 160 | 0.41 | Binding ≤ 1μM |
| PGH1_HUMAN | P23219 | Cyclooxygenase-1, Human | 1400 | 0.36 | Binding ≤ 10μM |
| PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 160 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| COX reactions | |
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
No pre-computed analogs available. Try a structural similarity search.