TableĀ 4 Sub-micromolar hits identified from screening the DDU focused kinase library were grouped into 9 compound series
From: Screening a protein kinase inhibitor library against Plasmodium falciparum
Series ID |
|
|
|
|---|---|---|---|
MMV02 | MMV03 | MMV04 | |
Compound | A0002 | A0003 | A0004 |
EC50 P. falciparum (Ī¼M) | 0.2 | 0.6 | 0.7 |
EC50 MRC5 cells (Ī¼M) | 6 | >Ā 15 | >Ā 15 |
cLogP | 4 | 3.2 | 2.9 |
cLogD | 4 | 3.2 | 2.9 |
TPSA (Ć 2) | 51 | 60 | 68 |
MW | 342 | 346 | 405 |
Heavy Atoms | 26 | 25 | 26 |
No. of examplesĀ <Ā 1Ā Ī¼M | 1 | 1 | 2 |
Validated hit series | Yes | Yes | Yes |
Series ID |
|
|
|
|---|---|---|---|
MMV05 | MMV06 | MMV08 | |
Compound | A0005 | A0006 | A0008 |
EC50 P. falciparum (Ī¼M) | 0.01 | 0.04 | 0.6 |
EC50 MRC5 cells (Ī¼M) | 1 | >Ā 15 | 0.02 |
cLogP | 5.4 | 4.2 | 5.7 |
cLogD | 5.4 | 4.2 | 5.7 |
TPSA (Ć 2) | 71 | 57 | 70 |
MW | 407 | 355 | 382 |
Heavy Atoms | 31 | 27 | 27 |
No. of examplesĀ <Ā 1Ī¼M | 1 | 1 | 1 |
Validated hit series | No | No | No |
Series ID |
|
|
|
|---|---|---|---|
MMV09 | MMV10 | MMV11 | |
Compound | A0009 | A0010 | A0011 |
EC50 P. falciparum (Ī¼M) | 0.2 | 0.6 | 0.6 |
EC50 MRC5 cells (Ī¼M) | >Ā 15 | >Ā 15 | 6 |
cLogP | 2.6 | 2.4 | 4.3 |
cLogD | 2.6 | 2.4 | 3.9 |
TPSA (Ć 2) | 55 | 67 | 58 |
MW | 348 | 348 | 482 |
Heavy Atoms | 24 | 23 | 35 |
No. of examplesĀ <Ā 1Ī¼M | 1 | 1 | 1 |
Validated hit series | No | No | No |
