CICLOPIROX OLAMINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
UNII 50MD4SB4AP
EPA CompTox DTXSID6045583

Structure

InChI Key MBRHNTMUYWQHMR-UHFFFAOYSA-N
Smiles Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO
InChI
InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2O3
Molecular Weight 268.36
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 105.96-129.11
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 105.96-129.11

Cross References

Resources Reference
ChEMBL CHEMBL242580
FDA SRS 50MD4SB4AP
PubChem 38911
SureChEMBL SCHEMBL66960
CONTENTS