ALCLOFENAC

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M01AB06
UNII: M9CP5H21N8

Structure
InChI Key ARHWPKZXBHOEEE-UHFFFAOYSA-N
Smile C=CCOc1ccc(CC(=O)O)cc1Cl
InChI
InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11ClO3
Molecular Weight 226.66
AlogP 2.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase-1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 0.6877
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.22-9.47

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 31183
ChEMBL CHEMBL94081
DrugBank DB13167
DrugCentral 107
EPA CompTox DTXSID4020038
FDA SRS M9CP5H21N8
PubChem 30951
SureChEMBL SCHEMBL25703
ZINC ZINC000002014875
CONTENTS