Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03RTS
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| Former ID |
DAP000737
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| Drug Name |
Celecoxib
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| Synonyms |
CEL; Celebra; Celebrex; Celecox; Celecoxi; Celocoxib; Eurocox; Medicoxib; Onsenal; Solexa; Xilebao; Celecoxib [Old RN]; Celecoxib [USAN]; Pfizer brand of celecoxib; SC 58635; SC58635; YM 177; YM177; AI-525; CEP-33222; Celebra (TN); Celebrex (TN); SC-58635; TPI-336; YM-177; Celebrex, Celebra, Celecoxib; Celecoxib (SC-58635); Celecoxib (JAN/USAN/INN); SC-58553, SC-58635; P-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; Benzenesulfonamide,4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl); 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1Hpyrazol-1-yl] benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD-11: FA20] | Approved | [1], [2] | |
| Pain [ICD-11: MG30-MG3Z] | Phase 3 | [1], [2] | ||
| Therapeutic Class |
Analgesics
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| Company |
Pfizer
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| Structure |
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Download2D MOL |
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| Formula |
C17H14F3N3O2S
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| Canonical SMILES |
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
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| InChI |
1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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| InChIKey |
RZEKVGVHFLEQIL-UHFFFAOYSA-N
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| CAS Number |
CAS 169590-42-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9791, 535138, 828874, 841958, 5364750, 7847633, 7886547, 7978890, 8150033, 8151729, 11336068, 11361307, 11363326, 11364763, 11365888, 11367325, 11368450, 11369887, 11372927, 11373130, 11373862, 11375487, 11376612, 11378052, 11445401, 11462279, 11485248, 11489392, 11491811, 11491997, 11494246, 11528618, 12015009, 14755918, 17389545, 26612517, 26680503, 26697316, 26747363, 26747364, 29221820, 46392808, 46505596, 46512162, 47365253, 47589055, 47959816, 48110506, 48413391, 48415737
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| ChEBI ID |
CHEBI:41423
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| ADReCS Drug ID | BADD_D00410 | |||
| SuperDrug ATC ID |
L01XX33; M01AH01
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| SuperDrug CAS ID |
cas=169590425
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Erysipelotrichales | ||||
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Studied Microbe: Eubacterium biforme DSM 3989
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Celecoxib can be metabolized by Eubacterium biforme DSM 3989 (log2FC = -0.898; p = 0.014). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Clostridium sporogenes ATCC 15579
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|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Celecoxib can be metabolized by Clostridium sporogenes ATCC 15579 (log2FC = -0.809; p = 0.031). | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2892). | |||
| REF 2 | New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Pfizer. Product Development Pipeline. March 31 2009. | |||
| REF 5 | Synflorix, GlaxoSmithKline's pneumococcal vaccine, receives European authorisation. GlaxoSmithKline. March 31 2009. | |||
| REF 6 | Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19. | |||
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