SULINDAC


Trade Names	CLINORIL SULINDAC
Synonyms	Arthrocine Artribid Clinoril MK-231 NSC-757344 Sulindac
Status
Molecule Category	UNKNOWN
ATC	M01AB02
UNII	184SNS8VUH
EPA CompTox	DTXSID4023624


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	80000	-	-	-
Enzyme Lyase	-	-	-	77900	-
Enzyme Oxidoreductase	-	16000	-	-	-
Ion channel Ligand-gated ion channel Glycine receptor	380	-	-	-	-
Secreted protein	-	-	570	-	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1	-	82900	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	241
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	27
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	63690	-	-	-

Related Entries

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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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).