4-Nitrobenzoic acid is a multifaceted bioactive molecule exhibiting a range of biochemical and pharmacological activities. It has a Hammett constant of 0.78, indicating its electronic effect in chemical reactions. With a partition coefficient (LogD) of 1.84, it is moderately lipophilic, and its log LD50 value of -1.52 suggests a notable toxicological profile. The inhibitory potency of the compound is reflected by a pI50 value of 501187.23 nM in a specific assay, and it achieves notable concentrations in rat kidney and liver, with Log M values of 1.02 and 0.79, respectively. Additionally, it binds to beta cyclodextrin with a log Ks value of 2.34 and inhibits human kidney thiopurine methyltransferase (TPMT) with an IC50 of 501187.23 nM.
4-Nitrobenzoic acid demonstrates significant multifunctional bioactivities, including inhibition of Tyrosyl-DNA Phosphodiesterase (TDP1), blocking Anthrax Lethal Toxin Internalization, antagonizing thyroid hormone receptor beta signaling and peroxisome proliferator-activated receptors gamma and delta signaling, as well as exerting effects on HIV-1 protein Vpr. It inhibits Protobothrops flavoviridis venom-induced hemorrhagic lesions in ddY mice with an IC50 of 240.0 nM and has a dissociation constant with a pKa of 3.42. Toxicologically, the pLD50 in orally dosed rats is reported as 7.58, indicating a lethal dose for half of the test population. Despite its myriad activities, 4-Nitrobenzoic acid shows limited inhibition (6.0%) of recombinant human IDO1 using L-tryptophan as a substrate. It also affects mollusc neuronal membrane potential with a fold change of -0.52 relative to salicylic acid at pH 7.8.
Further research from DrugMatrix highlights 4-Nitrobenzoic acid's influence on various physiological systems, including liver (ALT, ALP, AST), kidney (BUN), electrolyte balance (CO2, chloride, potassium, sodium), lipid metabolism (cholesterol, lipase), and blood cell counts (RBC, WBC, platelets), suggesting comprehensive systemic effects..
Note: Summary generated by AI. Data source: ChEMBL 