TIAPROFENIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: M01AE11
UNII: 1LS1T6R34C

Structure
InChI Key GUHPRPJDBZHYCJ-UHFFFAOYSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32221
ChEMBL CHEMBL365795
DrugBank DB01600
DrugCentral 2652
EPA CompTox DTXSID5023665
FDA SRS 1LS1T6R34C
Human Metabolome Database HMDB0015538
PharmGKB PA164764503
PubChem 5468
SureChEMBL SCHEMBL25639
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