LIAFENSINE

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Synonyms
Status
Molecule Category Free-form
UNII R34ID086Z6
EPA CompTox DTXSID60152610

Structure

InChI Key VCIBGDSRPUOBOG-QFIPXVFZSA-N
Smiles CN1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1
InChI
InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H22N4
Molecular Weight 366.47
AlogP 4.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.04
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Monoamine transporter inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1.1-8.8 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.1-8.8 - - -
Mus musculus
- - - - 77

Cross References

Resources Reference
ChEMBL CHEMBL2364614
DrugBank DB14878
FDA SRS R34ID086Z6
PubChem 58212050
SureChEMBL SCHEMBL1120067
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