SULINDAC

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01AB02
UNII 184SNS8VUH
EPA CompTox DTXSID4023624

Structure

InChI Key MLKXDPUZXIRXEP-MFOYZWKCSA-N
Smiles CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1
InChI
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H17FO3S
Molecular Weight 356.42
AlogP 4.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 374 - - -
Ion channel Ligand-gated ion channel Glycine receptor
380 - - - -
Secreted protein
- - 570 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 88.55-240.63
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 27.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 293 - - -
Cricetulus griseus
- - - - 88.55-240.63
Homo sapiens
380 374 570 - 27.1
Mus musculus
- - - - 49-100

Target Conservation

Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Related Entries

Cross References

Resources Reference
ChEBI 9352
ChEMBL CHEMBL15770
DrugBank DB00605
DrugCentral 2534
FDA SRS 184SNS8VUH
Human Metabolome Database HMDB0014743
Guide to Pharmacology 5425
KEGG C01531
PubChem 1548887
SureChEMBL SCHEMBL4202
ZINC ZINC00537805
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