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11th December 2013 @ 07:31

Professor Sue Charman's team (Monash University) have conducted physiochemical evaluation and metabolism studies for the following eight compounds:

Physiochemical Evaluation

Study Objective: To evaluate the physicochemical properties of the selected compounds.

CDCO_MMV_OSDD_13_004_Chem.pdf

Metabolism in Human and Mouse Liver Microsomes

Study Objective: To determine the in vitro metabolic stability of the selected compounds using human and mouse liver microsomes as a preliminary indication of the likely in vivo metabolic clearance.

CDCO_MMV_OSDD_13_005_Met.pdf

Analysis:

Paul Willis made the following conclusions from the studies:

'Solubility is low and improvement should be one of the goals for LO. The metabolic stability is not a mouse specific event and needs to be improved to deliver a candidate – the met ID data will follow and may help in the design of new, analogues with improved stability (but we could also look at correlations with Log D etc. to drive new target design)'

Data:

Strings:

MMV668957

InChI=1S/C22H19F2N5O/c23-22(24)30-18-8-6-16(7-9-18)21-27-26-19-12-25-13-20(29(19)21)28-11-10-17(14-28)15-4-2-1-3-5-15/h1-9,12-13,17,22H,10-11,14H2

MMV668958

InChI=1S/C20H14ClF2N5O2/c21-14-3-1-2-12(8-14)9-25-19(29)16-10-24-11-17-26-27-18(28(16)17)13-4-6-15(7-5-13)30-20(22)23/h1-8,10-11,20H,9H2,(H,25,29)

MMV669304

InChI=1S/C21H18F2N4O/c22-21(23)28-18-11-9-16(10-12-18)20-26-25-19-14-24-13-17(27(19)20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,21H,4,7-8H2

MMV670438

InChI=1S/C22H16F4N4O3/c23-16-6-3-14(7-17(16)24)22(10-31-11-22)12-32-19-9-27-8-18-28-29-20(30(18)19)13-1-4-15(5-2-13)33-21(25)26/h1-9,21H,10-12H2

MMV670944

InChI=1S/C18H11F3N6O2/c19-14-7-11(5-6-23-14)24-17(28)13-8-22-9-15-25-26-16(27(13)15)10-1-3-12(4-2-10)29-18(20)21/h1-9,18H,(H,23,24,28)

MMV671651

InChI=1S/C20H15F4N5O2/c21-14-6-3-12(7-15(14)22)16(25)10-30-18-9-26-8-17-27-28-19(29(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,16,20H,10,25H2/t16-/m0/s1

MMV672723

InChI=1S/C21H16F4N4O3/c1-21(30,13-4-7-15(22)16(23)8-13)11-31-18-10-26-9-17-27-28-19(29(17)18)12-2-5-14(6-3-12)32-20(24)25/h2-10,20,30H,11H2,1H3

MMV672727

InChI=1S/C21H15F5N4O2/c1-21(26,13-4-7-15(22)16(23)8-13)11-31-18-10-27-9-17-28-29-19(30(17)18)12-2-5-14(6-3-12)32-20(24)25/h2-10,20H,11H2,1H3






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Attached Files
CDCO_MMV_OSDD_13_005_Met.pdf
CDCO_MMV_OSDD_13_004_Chem.pdf
Structures.cdxml
Structures.png
Physicochem Sue Compounds.cdxml
Physicochem Sue Compounds.png