Table 3.

Molecular Initiating Events associated with Developmental Neurotoxicity, adapted from Spînu et al. [45] and Li et al. [27].

ID	MIE	Target	Reference
A	Binding of agonist, Ionotropic glutamate receptors	Glutamate [NMDA] receptor	[45]
A	Binding of agonist, Ionotropic glutamate receptors	Glutamate receptor ionotropic kainate	[45]
A	Binding of agonist, Ionotropic glutamate receptors	Glutamate receptor ionotropic AMPA	[45]
B	Binding of antagonist, NMDA receptors	Glutamate [NMDA] receptor	[45]
C	Binding of inhibitor, NADH-ubiquinone oxidoreductase (complex I)	Mitochondrial complex I (NADH dehydrogenase)	[45]
D	Binding, SH/SeH proteins involved in protection against oxidative stress	Aspecific1	[45]
E	CYP2E1 Activation	Cytochrome P450 2E1	[45]
F	Inhibition, Na+/I− symporter (NIS)	Sodium/iodide cotransporter	[45]
G	Thyroperoxidase, Inhibition	Thyroid peroxidase 1	[45]
H	Protein Adduct Formation	Aspecific 2	[45]
I	Binding of inhibitors to acetylcholinesterase (AChE)	Acetylcholinesterase	[27]
L	Binding of non-dioxin-like polychlorinated biphenyls with ryanodine receptor (RyR)	Ryanodine receptors 1, 2 and 3	[27]
M	Interaction uncouplers with oxidative phosphorylation	Aspecific 3	[27]
N	Binding of redox cycling chemicals with NADH-quinone oxidoreductase	Mitochondrial complex I (NADH dehydrogenase)	[27]
O	Binding of redox cycling chemicals with NADH cytochrome b5 reductase	NADH-cytochrome b5 reductase	[27]
P	Xenobiotic nuclear receptor activation	Pregnane X receptor	[27]
P	Xenobiotic nuclear receptor activation	Nuclear receptor subfamily 1 group I member 3 (Constitutive Androstane Receptor)	[27]
Q	Interference with thyroid serum binding protein	Transthyretin	[27]
R	Deiodinase inhibition	Deiodinase 4	[27]
S	Thyroid receptor binding	Thyroid hormone receptor beta	[27]
S	Thyroid receptor binding	Thyroid hormone receptor alpha	[27]
T	Thyroid hormone transporter interference	Monocarboxylate transporter 8 4	[27]
T	Thyroid hormone transporter interference	Monocarboxylate transporter 10 4	[27]
T	Thyroid hormone transporter interference	Solute carrier organic anion transporter family member 1C1 4	[27]
U	Binding of pyrethroids to voltage-gated sodium channels (VGSC)	Sodium channel protein type N alpha subunit	[27]
V	Binding of antagonist to γ-aminobutyric acid receptor GABAAR	GABA-A receptor; alpha-1/beta-2/gamma-2	[27]

¹ No data found in ChEMBL, QSAR from Gadaleta et al. [68] was used. ² Replaced with the use of reactivity SMARTS [69]. ³ No specific targets, not considered for modelling. ⁴ No data found in ChEMBL, not considered for modelling.