To identify most promising seed and optimize it strategically with minimum syntheses, docking structure to target protein is most helpful to interpret structure-activity relations and to consider the future potential of each compound by structural modification which may lead to higher activity and selectivity to the target protein.

IMMD has established a rational drug discovery method using proprietary software system for rational drug design based on 3-D structures of target proteins. The core of our technology is a conformation-flexible automatic docking method which the founder of IMMD has succeeded to develop first in the world in 1992. Since our automatic docking method is very accurate and rapid, numerous qualified drug seeds can be found by virtual screening based on this automatic docking method from a vast number of compounds in databases.

As a small number of promising compounds are effectively selected by this virtual screening, the method is well-suited with cell-based assay to find drug seeds with new structures active to intact target protein. Moreover, the method is useful for strategic optimization starting from one or two promising seeds with minimum compound syntheses based on estimated docking structure to the target. As a result, this method realized rational drug discovery with high success rate, high speed, minimum syntheses and low cost.

Collaborative drug discovery research program with pharmaceutical companies usually last 2-5 years funded by the partner. The target protein, starting point, endpoint and criteria can be flexibly settled and there can be various collaboration schemes. For example, IMMD discovers preclinical candidates or leads which satisfy the criteria given by the partner starting from protein modeling/crystal structure of target protein, or IMMD discovers preclinical candidates/leads starting from drug seeds (compounds with targeted in vitro activity) which have been identified by IMMD in advance. The partner will be responsible for further development. Milestone and royalty will be paid by the partner to IMMD according to the agreed schedule.

IMMD has successful track record for collaborative drug discovery research with Japanese pharmaceutical companies. We seek for additional partners.

IMMD has achieved several successes in developing excellent clinical/preclinical candidates. We offer out-licensing opportunities.
From the research to date, it becomes obvious that our IKKβ inhibitor has the different mechanism, 'non-ATP-competitiive binder mechanism' from the mechanisms of other study drugs.
It is considered that the mechanism guarantees the safety of our compounds to human beings.

IMMD's In-House Drug Discovery Program

Mechanism (Target)
Route of admin.
IMD-1041 IKKβ inhibitor
(prodrug of IMD-0354)
Complications of diabetes
Age-related macular degeneration
Neovascular glaucoma
Pulmonary fibrosis
POC study
Potent inhibition of PAI-1 production
IMD-2560 IKKβ inhibitor
(prodrug of IMD-0560)
Rheumatoid arthritis, Rheumatic Osteoporosis Osteoarthritis
P-1 study completed
Potent inhibition of IL-6 production
IMD-0354 IKKβ inhibitor
Atopic dermatitis etc
P-1 study completed
IMD-4482 PAI-1 inhibitor
Alzheimer's disease, Vascular dementia
Good distribution to all tissues
IMD-4852 PAI-1 inhibitor
Thrombotic diseases
Poor distribution to tissues other than blood
IMD-0354 IKKβ inhibitor
IV. Drip
Potent inhibition of PAI-1 and VEGF production
IMMD provides high quality drug seeds against any target selected by clients with information on binding mode and SAR among dozens of congeneric compounds.

IMMD's seeds are characterized by:

  • Small molecular weight
  • Drug-likeness structure
  • Good docking structure
    • Favorable interactions(H-bond etc) with target
    • Extent of occupying the bottom of the binding pocket
  • Easiness of chemical syntheses
    • upto 5 steps without chiral center