BIFEPRUNOX


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	CYGODHVAJQTCBG-UHFFFAOYSA-N
Smiles	O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1
InChI	InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)

Mechanism of Action	Action	Reference
Dopamine D2 receptor partial agonist	PARTIAL AGONIST	PubMed


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394










Protein: Dopamine D2 receptor Description: D(2) dopamine receptor Organism : Homo sapiens P14416 ENSG00000149295

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	-	3	-	0-2	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	324	-	-	9-9	-

Assay Description	Organism	Bioactivity
Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-DPAT as radioligand	None	9.3 nM
Binding affinity for dopamine receptor D2 determined using [3H]spiperone	None	2.2 nM
Displacement of [3H]OH-DPAT from rat cortex 5HT1A receptor	Rattus norvegicus	64.57 nM
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor	Rattus norvegicus	1.549 nM
Agonist activity at human 5HT1A receptor in HeLa cells assessed as stimulation of [35S]GTP-gamma-S binding	Homo sapiens	323.59 nM
Agonist activity at dopamine D2 receptor	None	2.2 nM
Agonist activity at 5HT1A receptor	None	9.3 nM
Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells	Homo sapiens	0.1 nM
Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells	Homo sapiens	0.04 nM
Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay	Homo sapiens	2.9 nM
Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes	Homo sapiens	0.6 nM
Displacement of [3H]nemonapride from dopamine D2L receptor (unknown origin) expressed in African green monkey COS7 cells	Homo sapiens	2.3 nM	Displacement of [3H]nemonapride from dopamine D2L receptor (unknown origin) expressed in African green monkey COS7 cells	Homo sapiens	2.291 nM
Primary screen in NF54 nanoGlo assay, in single point, at 2uM, 72h	Plasmodium falciparum	1.0 %

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