ZOMEPIRAC

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Synonyms
Status
Molecule Category Free-form
ATC M01AB04
UNII 822G987U9J
EPA CompTox DTXSID9023754

Structure

InChI Key ZXVNMYWKKDOREA-UHFFFAOYSA-N
Smiles 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 Transferase
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0
Mus musculus
- - - - 70
Rattus norvegicus
- - - - 61-82

Related Entries

Cross References

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