ZOMEPIRAC

Search structure


Synonyms:	Zomepirac
Status:	Approved (1980)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	M01AB04
UNII:	822G987U9J

Structure


InChI Key	ZXVNMYWKKDOREA-UHFFFAOYSA-N
Smile	Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H14ClNO3
Molecular Weight	291.73
AlogP	2.85
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	59.3
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	20.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	15000	-	-	-
Enzyme Transferase	-	-	-	-	0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Cross References

Resources	Reference
ChEBI	35859
ChEMBL	CHEMBL19490
DrugBank	DB04828
DrugCentral	2871
EPA CompTox	DTXSID9023754
FDA SRS	822G987U9J
PDB	ZOM
PharmGKB	PA166049188
PubChem	5733
SureChEMBL	SCHEMBL25735
ZINC	ZINC000000057537

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