Celecoxib

Basic Information

CAS ID:	169590-42-5
Molecular Formula:	C17H14F3N3O2S
Molecular Weight:	381.4 g/mol
Monoisotopic Mass:	381.0759 g/mol
Class:	Small Molecule
Natural Product:	No
Other Names:	ONSENAL \| CELECOXIB \| SC-58635 \| Celebra \| CELEBREX
Analysis:	Drug repositioning mechanism analysis

Compound Structure and Identifier

InChI:	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)	See All
InChI Key:	RZEKVGVHFLEQIL-UHFFFAOYSA-N
Smiles:	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	See All
Molfile:	Download

Related Target

Target ID	Name	Interaction
T0494	Prostaglandin G/H synthase 2	inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID	26458764	Target ID	T0494
Uniprot ID	Prostaglandin G/H synthase 2	Name	Prostaglandin G/H synthase 2
Model	vitro,mice	Fibrosis Disease	Renal fibrosis
Process I
Process II
Process III	prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID	25371970	Target ID	T0494
Uniprot ID	Prostaglandin G/H synthase 2	Name	Prostaglandin G/H synthase 2
Model	vitro,rabbit	Fibrosis Disease	Scar
Process I
Process II
Process III
Mechanism

Reference Record 3

PubMed ID	23922700	Target ID	T0494
Uniprot ID	Prostaglandin G/H synthase 2	Name	Prostaglandin G/H synthase 2
Model	rat	Fibrosis Disease	Liver fibrosis
Process I
Process II
Process III
Mechanism	Targeting VEGF/VEGFR-2

Reference Record 4

PubMed ID	25656942	Target ID	T0494
Uniprot ID	Prostaglandin G/H synthase 2	Name	Prostaglandin G/H synthase 2
Model	rat	Fibrosis Disease	Vascular fibrosis
Process I
Process II
Process III	prevenet collagen deposition
Mechanism

Reference Record 5

PubMed ID	24462674	Target ID	T0494
Uniprot ID	Prostaglandin G/H synthase 2	Name	Prostaglandin G/H synthase 2
Model	rat	Fibrosis Disease	Renal fibrosis
Process I	attenue inflammation
Process II
Process III	prevenet collagen deposition
Mechanism	Targeting TGF-β1/IL-2/COX-2/ETB receptor pathway

Related Link

PubChem:	2662
ChEMBL:	CHEMBL118