Table 1

Groups I to IV core chemical structures and reported activities

Core structure group

Phenotype

PubChem bioassays (AID)

Named drugs and uses


I

Fitness

PubChem AID 317390, 317391, 317396, 317399, 317400, 5512, 52703; displaces binding of sigma receptor, binds sigma receptor, binds 5HT-2A receptor, inhibits chemokine receptor 3 (CCR3)

II

Motility/Phototaxis

PubChem AID31792; acetocholinesterase inhibitor

Cyclizine, antihistamine; benethamine,

IIIa

Photosynthesis

PubChem AID1865, 2314, 2315, 2546, 504333, 493056; epigenetic regulator, shiga toxin inhibitor, inhibits retinoic acid related orphan receptor gamma, inhibits BAZ2B, increases thyrotropin releasing hormone receptor

Darglitazone, muraglitazar, peroxisome proliferation activated receptor gamma, antiglycemic; oxaprozin, NSAID

IIIb

Photosynthesis

PubChem AID894, 1529, 145655, 5512; binds 5HT-2A receptor, inhibits MEK5 kinase, inhibits 15-hydroxyprostaglandin dehydrogenase

Tolperisone, muscle relaxant

IV

Active in all phenotypes

PubChem AID265123, 265124, 265125, 265126, 265127; binds dopamine receptors D2, D3, D4, D1A

Fezolamine, antidepressant; lonazole, NSAID, COX2 inhibitor


Alfred et al. Genome Biology 2012 13:R105   doi:10.1186/gb-2012-13-11-r105

Open Data