NOMIFENSINE

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Synonyms
Status
Molecule Category Free-form
ATC N06AX04
UNII 1LGS5JRP31
EPA CompTox DTXSID0023377

Structure

InChI Key XXPANQJNYNUNES-UHFFFAOYSA-N
Smiles CN1Cc2c(N)cccc2C(c2ccccc2)C1
InChI
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18N2
Molecular Weight 238.33
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 48 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 6.6-830 - 3.8-874 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15-630.96 - 3.8-874 -
Rattus norvegicus
3.1-31 6.6-830 - 3.8-79 -

Cross References

Resources Reference
ChEBI 116225
ChEMBL CHEMBL273575
DrugBank DB04821
DrugCentral 1958
FDA SRS 1LGS5JRP31
Guide to Pharmacology 4792
PubChem 4528
SureChEMBL SCHEMBL49380
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