LIAFENSINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R34ID086Z6

Structure
InChI Key VCIBGDSRPUOBOG-QFIPXVFZSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Monoamine transporter inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364614
DrugBank DB14878
EPA CompTox DTXSID60152610
FDA SRS R34ID086Z6
PubChem 58212050
SureChEMBL SCHEMBL1120067
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