IC50 (functional)
|
= 0 uM
|
Antimicrobial activity against Plasmodium falciparum
|
ChEMBL.
|
20185316
|
IC50 (functional)
|
= 0.01 uM
|
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.01 uM
|
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.04 uM
|
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.04 uM
|
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.07 uM
|
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.07 uM
|
In vitro Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with wild-type (TM4/8.2)
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 0.07 uM
|
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.07 uM
|
In vitro Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with wild-type (TM4/8.2)
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
< 0.1 uM
|
In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
< 0.1 uM
|
In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.11 uM
|
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 0.11 uM
|
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 5 uM
|
Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 5 uM
|
Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 5.01 uM
|
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 5.01 uM
|
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 13.15 uM
|
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 13.15 uM
|
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 19.45 uM
|
In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 19.45 uM
|
In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR
|
ChEMBL.
|
14711307
|
IC50 (functional)
|
= 34 uM
|
Cytotoxicity by the selective inhibition against African green monkey kidney fibroblast(vero cells).
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 102 uM
|
Cytotoxicity against human epidermoid carcinoma KB cell.
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 102 uM
|
Cytotoxicity against human epidermoid carcinoma KB cell.
|
ChEMBL.
|
11881993
|
IC50 (functional)
|
= 139 uM
|
Cytotoxicity against human breast cancer cells.
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 0.3 nM
|
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 0.3 nM
|
Inhibition of the wild-type dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 0.3 nM
|
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 0.3 nM
|
Inhibition of the wild-type dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 1.8 nM
|
Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 1.8 nM
|
Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 2.2 nM
|
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 2.2 nM
|
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 2.2 nM
|
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 2.2 nM
|
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)
|
ChEMBL.
|
11881993
|
Ki (binding)
|
= 24.7 nM
|
Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 24.7 nM
|
Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 119.3 nM
|
Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)
|
ChEMBL.
|
14711307
|
Ki (binding)
|
= 119.3 nM
|
Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)
|
ChEMBL.
|
14711307
|
NI (binding)
|
|
Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR);NA is no inhibition
|
ChEMBL.
|
11881993
|
NI (binding)
|
0
|
Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR);NA is no inhibition
|
ChEMBL.
|
11881993
|
Ratio (binding)
|
= 6
|
Ratio of Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.
|
ChEMBL.
|
11881993
|
Ratio (binding)
|
= 7.3
|
Ratio of Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.
|
ChEMBL.
|
11881993
|
Ratio (functional)
|
= 71.4
|
IC50 ratio of the compound (K1CB1/TM4)
|
ChEMBL.
|
11881993
|
Ratio (binding)
|
= 6
|
Ratio of Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.
|
ChEMBL.
|
11881993
|
Ratio (binding)
|
= 7.3
|
Ratio of Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) to inhibition of wild type dihydrofolate reductase.
|
ChEMBL.
|
11881993
|
Ratio (functional)
|
= 71.4
|
IC50 ratio of the compound (K1CB1/TM4)
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.004
|
Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.009
|
Inhibitory activity against double mutant dihydrofolate reductase (C59R S108N DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.01
|
Inhibition of S108N mutant dihydrofolate reductase (DHFR)relative to Tmp
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.01
|
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)relative to Tmp
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.02
|
Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.03
|
Inhibition of the wild-type dihydrofolate reductase (DHFR) relative to Tmp
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.03
|
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.004
|
Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.009
|
Inhibitory activity against double mutant dihydrofolate reductase (C59R S108N DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.01
|
Inhibition of S108N mutant dihydrofolate reductase (DHFR)relative to Tmp
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.01
|
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)relative to Tmp
|
ChEMBL.
|
11881993
|
Relative activity (binding)
|
= 0.02
|
Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.03
|
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR), relative to trimethoprim
|
ChEMBL.
|
14711307
|
Relative activity (binding)
|
= 0.03
|
Inhibition of the wild-type dihydrofolate reductase (DHFR) relative to Tmp
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
485
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 1457
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 1986
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
6.8
|
Safety ratio is cytotoxicity to vero cells/IC50 K1
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 20
|
Safety ratio is cytotoxicity to vero cells/IC50 K1
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 28
|
Safety ratio is cytotoxicity to vero cells/IC50 K1
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
485
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 1457
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|
Safety ratio (functional)
|
= 1986
|
Safety ratio is cytotoxicity to vero cells/IC50 TM4.
|
ChEMBL.
|
11881993
|