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Melitracen Hydrochloride is a tricyclic antidepressant (TCA) with a unique anthracene-derived structure, featuring a dimethylamino propylidene side chain and a dimethylated central ring system. The molecular architecture of Melitracen Hydrochloride enables its activity as a potential dopamine D1/D2 receptor antagonist, distinguishing it from other TCAs that primarily target serotonin and norepinephrine reuptake.

Opicapone (BIA 9-1067) is a potent, long-acting third-generation catechol-O-methyltransferase (COMT) inhibitor developed for the treatment of Parkinson's disease and motor fluctuations. The molecular structure of Opicapone features a nitrocatechol moiety linked to a dichlorodimethylpyridine N-oxide ring via an oxadiazole bridge, enabling reversible binding to the COMT enzyme.

Evocalcet (KHK7580) is a potent, orally active calcium-sensing receptor (CaSR) agonist developed for the management of hyperparathyroidism. The molecular structure of Evocalcet features a complex diaryl amine scaffold with a chiral center, enabling selective activation of the calcium-sensing receptor expressed on parathyroid gland cells. As a CaSR agonist, Evocalcet mimics the action of extracellular calcium, inhibiting parathyroid hormone (PTH) secretion and reducing serum calcium levels.

Elinzanetant (NT-814, BAY3427080) is a potent, orally active dual neurokinin-1 and neurokinin-3 receptor antagonist with a complex molecular structure featuring a pyrazino[2,1-c][1,4]oxazine core, a fluorinated phenyl group, and a bis(trifluoromethyl)phenyl moiety.

Tucidinostat (Chidamide, HBI-8000, CS-055) is a potent, orally bioavailable class I and class IIb histone deacetylase (HDAC) inhibitor with a unique benzamide-based structure. The molecular architecture of Tucidinostat features a fluorinated anilide moiety linked to a pyridylacrylamide group, enabling selective inhibition of HDAC1, HDAC2, HDAC3, and HDAC10 with IC₅₀ values in the nanomolar range.

Axitinib (AG-013736) is a potent, selective, and orally bioavailable small-molecule multi-target tyrosine kinase inhibitor. The molecular structure of Axitinib features an indazole core with a pyridylvinyl substituent and a thioether-linked benzamide moiety, enabling it to bind to the ATP-binding pocket of vascular endothelial growth factor receptors (VEGFRs). As a next-generation VEGFR inhibitor, Axitinib demonstrates high potency against VEGFR-1, VEGFR-2, and VEGFR-3 with IC₅₀ values in the sub-nanomolar range (0.1–0.3 nM), while also showing activity against PDGFR-β and c-KIT .