CICLOPIROX

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D01AE14 G01AX12
UNII 19W019ZDRJ
EPA CompTox DTXSID9048564

Structure

InChI Key SCKYRAXSEDYPSA-UHFFFAOYSA-N
Smiles Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChI
InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO2
Molecular Weight 207.27
AlogP 2.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 42.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Aluminium chelating agent CHELATING AGENT PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0-52
Rattus norvegicus
- 249.9-330 - - -

Cross References

Resources Reference
ChEBI 453011
ChEMBL CHEMBL1413
DrugBank DB01188
DrugCentral 636
FDA SRS 19W019ZDRJ
Human Metabolome Database HMDB0015319
KEGG D03488
PDB B4O
PharmGKB PA164747060
PubChem 2749
SureChEMBL SCHEMBL34424
ZINC ZINC000000001145
CONTENTS