Monobenzone exhibits a diverse range of bioactivities and inhibitory properties across multiple biological targets. It has a significant inhibitory effect on the recombinant rat androgen receptor expressed in Escherichia coli with an IC50 value of 234422.88 nM. The compound shows potent modulation of Lamin A splicing, induces erasure of genomic imprints with moderate potency, and has both inhibitory and potential substrate activity towards Cytochrome P450 2C19. Additionally, Monobenzone displays agonistic and antagonistic activities in the Hypoxia Response Element signaling pathway and has been identified as a potential novel general anesthetic.
In various enzyme inhibition assays, Monobenzone exhibits inhibition of COX-1 (IC50: 1019.0 nM), COX-2 (IC50: 3726.0 nM), Lipoxygenase 15-LO (IC50: 4892.0 nM), and Norepinephrine Transporter with an IC50 value of 3886.0 nM and a Ki value of 3854.0 nM. However, it shows no significant hepatic toxicity based on the Drug Induced Liver Injury Prediction System (DILIps).
Monobenzone is active in assays related to Cytochrome P450 isoforms including p450-cyp2c19 and p450-cyp1a2 and demonstrates moderate inhibition of the malarial parasite plastid. It also has activity in Schwann cell assays, inhibits human tyrosyl-DNA phosphodiesterase 1, affects Plasmodium falciparum proliferation, and interferes with the binding or cellular entry of the Lassa and Ebola viruses.
In the context of SARS-CoV-2, Monobenzone shows low bioactivity in inhibiting cell viability of Vero E6 cells infected with the virus, with inhibition percentages and IC50 values below the thresholds of significant activity. However, it does exhibit inhibitory activity against the SARS-CoV-2 3CL-Pro protease with a modest inhibition percentage.
Notably, Monobenzone demonstrates potent inhibitory activity against human HDAC6 in various enzymatic assays, with inhibition percentages of 98.06%, 87.0%, and 86.56%, and an IC50 value of 988.8 nM with a custom peptide substrate, underscoring its high potency and selectivity as an HDAC6 inhibitor. Additionally, the compound binds to human SLC6A3 and SLC6A2 with AC50 values of 8556.0 nM and 6955.0 nM, respectively, and inhibits human PTGS1 with AC50 values measured at 10953.4 nM and 7876.3 nM through different detection methods..
Note: Summary generated by AI. Data source: ChEMBL 