Insilico Medicine selects AI-designed molecule ISM9528 for pain treatment

Insilico Medicine selects AI-designed molecule ISM9528 for pain treatment

On 22 July, Insilico Medicine named ISM9528 as a preclinical candidate for pain treatment. The company plans to begin its first human trial in 2027. The molecule is intended for oral administration.

In an Insilico press release, the drug's target is identified as Target Z. This is a placeholder name for the biological target that the molecule is intended to act on. The PandaOmics platform compared data on gene and protein activity, scientific publications, and other biological information, then identified Target Z as a possible target for pain treatment. The team subsequently examined how this target is expressed in human and animal cell types associated with pain.

Chemistry42 then proposed possible chemical structures. The team selected molecules based on their activity against Target Z, their ability to cross the blood-brain barrier, and the properties required of a potential drug. The blood-brain barrier is a filter in the brain's blood vessels that allows only certain substances to pass through. After several rounds of selection, Insilico chose ISM9528.

The company compared ISM9528 with pregabalin, a drug used to treat neuropathic pain, in animal studies. According to Insilico, a medium dose of ISM9528 relieved pain for up to six hours in a rat nerve injury model, matching the effect of pregabalin. In a postoperative pain model, the company reports that the effect began within half an hour and was stronger than the effect of an equal dose of pregabalin. Drug Target Review describes these models and the plan to begin the first human trial in 2027.

Insilico already has a program that has progressed further: rentosertib, for which AI selected the target TNIK and designed the molecule, produced a positive result in a Phase IIa trial for pulmonary fibrosis. ISM9528 remains at the earliest of these stages.

ISM9528 is Insilico's 31st preclinical candidate since 2021. The company reports that 13 previous candidates have received authorization to begin clinical trials.