We'd need to extract the data we need. An alternative is that it looks like Sola can take a Science Cloud input file. @edwintse would you mind checking on Science Cloud for OSM-S-106 (which is MMV025100) to see if a file can be downloaded? There may be different batches, and I don't know if that complicates matters, but see what's there.
Sample numbers needed by Sola (which we can collate here)
HUMAN
% plasma binding (0-100)
Blood to plasma ratio set at 1
LogD
Hep. CLint (µL/min/10^6 cells)
Mic. CLint (µL/min/mg)
With the most recent data incoming (#27 #26 ) and the original data on the compound, it should be possible to do dose predictions for OSM-S-106 using MMVSola.
We'd need to extract the data we need. An alternative is that it looks like Sola can take a Science Cloud input file. @edwintse would you mind checking on Science Cloud for OSM-S-106 (which is MMV025100) to see if a file can be downloaded? There may be different batches, and I don't know if that complicates matters, but see what's there.
Sample numbers needed by Sola (which we can collate here) HUMAN % plasma binding (0-100) Blood to plasma ratio set at 1 LogD Hep. CLint (µL/min/10^6 cells) Mic. CLint (µL/min/mg)
RAT % plasma binding (0-100) Plasma CL (mL/min/kg) Plasma VSS (L/kg) Hep. CLint (µL/min/10^6 cells) Mic. CLint (µL/min/mg)
MOUSE % plasma binding (0-100) Plasma CL (mL/min/kg) Plasma VSS (L/kg) Hep. CLint (µL/min/10^6 cells) Mic. CLint (µL/min/mg)
DOSING AND PD DATA Simulated Dose (mg) (set at 100 default) NF54 72h IC50 (nM) Hill slope Log10 in-vitro PRR / 48h Molecular Weight (Da) % Albumax Binding (0-100) SCID EC50 [ng/mL] Hill Slope in SCID