NOMIFENSINE MALEATE

Search structure
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 76S8CUH5MR

Structure
InChI Key GEOCVSMCLVIOEV-BTJKTKAUSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Monoamine transporter 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
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1256842
EPA CompTox DTXSID1045790
FDA SRS 76S8CUH5MR
PubChem 5358907
SureChEMBL SCHEMBL125019
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