TIAPROFENIC ACID


Synonyms	RU 15060 RU-15060 Surgam Surgam 200 Surgam 300 Surgam sa Tiaprofen Tiaprofenate Tiaprofenic acid
Status
Molecule Category	Free-form
ATC	M01AE11
UNII	1LS1T6R34C
EPA CompTox	DTXSID5023665

Structure


InChI Key	GUHPRPJDBZHYCJ-UHFFFAOYSA-N
Smiles	CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChI	InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H12O3S
Molecular Weight	260.31
AlogP	3.17
Hydrogen Bond Acceptor	3.0
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	18.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C12 family	-	-	-	-	15
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor	-	-	-	-	7

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	7-15

Related Entries

Cross References

Resources	Reference
ChEBI	32221
ChEMBL	CHEMBL365795
DrugBank	DB01600
DrugCentral	2652
FDA SRS	1LS1T6R34C
Human Metabolome Database	HMDB0015538
PharmGKB	PA164764503
PubChem	5468
SureChEMBL	SCHEMBL25639

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).