NOMIFENSINE MALEATE

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Synonyms
Status
Molecule Category Mixture
UNII 76S8CUH5MR
EPA CompTox DTXSID1045790

Structure

InChI Key GEOCVSMCLVIOEV-BTJKTKAUSA-N
Smiles CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2O4
Molecular Weight 354.41
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Monoamine transporter inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed
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
- - - - 59.46-79.07
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 59.46-79.07

Cross References

Resources Reference
ChEMBL CHEMBL1256842
FDA SRS 76S8CUH5MR
PubChem 5358907
SureChEMBL SCHEMBL125019
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