MEPHENESIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03BX06
UNII: 7B8PIR2954

Structure
InChI Key JWDYCNIAQWPBHD-UHFFFAOYSA-N
Smile Cc1ccccc1OCC(O)CO
InChI
InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O3
Molecular Weight 182.22
AlogP 0.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 49.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

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
- - - - 101

Cross References

Resources Reference
ChEBI 94398
ChEMBL CHEMBL229128
DrugBank DB13583
DrugCentral 1691
EPA CompTox DTXSID4023254
FDA SRS 7B8PIR2954
PubChem 4059
SureChEMBL SCHEMBL25448
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