aqueous solubility, where (a) 0 = extremely low, (b) 1 = very low; (c) 2 = low, (d) 3 = good, (e) 4 = optimal, (f) 5 = very soluble (ADMET)
|
= 2
|
aqueous solubility, where (a) 0 = extremely low, (b) 1 = very low; (c) 2 = low, (d) 3 = good, (e) 4 = optimal, (f) 5 = very soluble
|
Saint Jude.
|
20485428
|
Compound predicted to be a mutagen in Ames test: 0=false; 1=true (ADMET)
|
= 0
|
TRUE if compound predicted to be a mutagen in an Ames test
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 36.7 nM
|
MMV: Inhibition of Plasmodium falciparum 3D7 (EC50).
|
ChEMBL.
|
No reference
|
EC50 (functional)
|
= 73.9 nM
|
MMV: Inhibition of Plasmodium falciparum K1 (EC50).
|
ChEMBL.
|
No reference
|
EC50 (functional)
|
= 0.1 uM
|
Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.1021 uM
|
ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
0.1195 uM
|
ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.12 uM
|
Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 0.1701 uM
|
Differential activity in the presence of antimalarial chloroquine
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 0.1959 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum K1
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.1959 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum K1
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.2166 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum 3D7
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.2166 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum 3D7
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.223 uM
|
Differential activity in the presence of antimalarial atovaquone
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 0.2548 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum Dd2
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.2548 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum Dd2
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.2862 uM
|
Differential activity in the presence of antimalarial artemisinin
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 0.2997 uM
|
Differential activity in the presence of antimalarial mefloquine
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.3294 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum D10 transfected with yeast DHOD
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.33 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum D10 transfected with yeast DHOD
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 0.3695 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum SB-A6
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
0.3695 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum SB-A6
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
0.4159 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum V1/S
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
= 0.42 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum V1/S
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 7.5464 uM
|
Cytotoxic activity for compound versus Trypanosoma brucei
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
= 7.5464 uM
|
Cytotoxic activity for compound versus Leishmania major
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
7.5464 uM
|
ST_JUDE: Cytotoxicity using luciferase to measure ATP as an indicator of the viability of Trypanosoma brucei
|
ChEMBL.
|
20485428
|
EC50 (binding)
|
> 10 uM
|
Plasmodium falciparum dihydroorotate dehydrogenase inhibition assay
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 12.25 uM
|
Cytotoxic activity for compound versus Plasmodium falciparum W2
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 12.252 uM
|
ST_JUDE: Cytotoxicity against Plasmodium falciparum W2
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
> 20.42 uM
|
ST_JUDE: Cytotoxicity using Alamar Blue to measure viability of Leishmania major
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
> 26.1376 uM
|
Cytotoxic activity for compound versus Toxoplasma gondii
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 26.1376 uM
|
ST_JUDE: Growth inhibition of to Toxoplasma gondii, in human U-2OS cells, as measured by luciferase.
|
ChEMBL.
|
20485428
|
EC50 (functional)
|
> 30 uM
|
hemozoin polymerization inhibition assay. EC50 from hemozoin assay were approximately derived based on 3 point dose response
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 47.7011 uM
|
Cytotoxic activity for compound versus human forskin fibroblast cells
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 47.7011 uM
|
Cytotoxic activity for compound versus human epithelial hepatocellular carcinoma cells
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 47.7011 uM
|
Cytotoxic activity for compound versus human epithelial embryonic kidney cells
|
Saint Jude.
|
20485428
|
EC50 (functional)
|
> 47.7011 uM
|
Cytotoxic activity for compound versus human Burkitt's lymphoma lymphoblast cells
|
Saint Jude.
|
20485428
|
EC50 |
> 47.7011 uM
|
ST_JUDE: Cytotoxicity using luciferase to measure ATP as an indicator of the viability of human epithelial embryonic kidney cells (HEK293)
|
ChEMBL.
|
20485428
|
EC50 |
> 47.7011 uM
|
ST_JUDE: Cytotoxicity using luciferase to measure ATP as an indicator of the viability of human Burkitt''s lymphoma lymphoblast cells (Raji)
|
ChEMBL.
|
20485428
|
EC50 |
> 47.7011 uM
|
ST_JUDE: Cytotoxicity using luciferase to measure ATP as an indicator of the viability of human foreskin fibroblast cells (BJ)
|
ChEMBL.
|
20485428
|
EC50 |
> 47.7011 uM
|
ST_JUDE: Cytotoxicity using luciferase to measure ATP as an indicator of the viability of human epithelial hepatocellular carcinoma cells (HepG2)
|
ChEMBL.
|
20485428
|
EC50 (binding)
|
> 50 uM
|
Plasmodium falciparum falcipain 2 inhibition assay
|
Saint Jude.
|
20485428
|
Growth Inhibition (functional)
|
= 28.379 %
|
MMV: Measure of pLDH activity as indication of parasite viability. Gametocytogenesis of 3D7 Plasmodium falciparum strain was induced in vitro and asexual parasites were depleted with N-acetylglucosamine. Gametocytes were treated with dihydroartemisinin, epoxomicin, methylene blue, primaquine, puromycin or chloroquine in 96-well plates and the pLDH activity was evaluated using a modified Makler protocol. Mosquito infectivity was measured by the standard membrane feeding assay.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 1258 nM
|
MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr Green I Fluorescence assay. Starting conditions were 1% trophozoite synchronised parasites at 2% haematocrit. Fluorescence detection completed after 48hr incubation at 37 degrees C under 1% O2, 3% CO2 and balance N2.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 12000 nM
|
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 12000 nM
|
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 12000 nM
|
ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 0.211 uM
|
MMV: Modified 3H-Hyoxanthine uptake assay; 1% O2, 5% CO2 in N2.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 0.262 uM
|
MMV: 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#11875-093) with Sodium Bicarbonate (NaHCO3) 2000 mg/mL.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 0.343 uM
|
MMV: 3H-Hyoxanthine uptake assay; 5% O2, 5% CO2 in N2.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 0.37 uM
|
MMV: Modified 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#23400-013) without Sodium Bicarbonate (NaHCO3).
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 1 uM
|
MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 1 uM
|
MMV: CDPK1 Protein kinase inhibition assay using recombinant PfCDPK1, syntide 2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 1 uM
|
MMV: PK6 Protein kinase inhibition assay using recombinant PfPK6, Myelin Basic Protein (MBP) substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1.5 uM ATP, 5 mM MnCl2, and 15 ug/ml PK6 in a buffer of 100 mM Tris-HCl (pH 7.5). 50 ug/mL MBP was provided as the substrate; 10 uM staurosporine was used as a control inhibitor. Incubation time was 3 hours and 40 minutes.The catalytic activity of each kinase was considered proportional to ATP consumed, as determined from measurements of residual [ATP] with the luciferase-based reagent Kinase-Glo (Promega) following incubation. Luminescence (proportional to residual [ATP]) was measured on the plate readers FLx800 (BioTek Instruments, Winooski, VT, USA) and MicroBeta2.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 1 uM
|
MMV: PK7 Protein kinase inhibition assay using recombinant PfPK7, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 2 mM DTT, 20 mM MgCl2, 2 mM MnCl2, 0.01% BSA, and 6 ug/ml PK7, in a buffer of 20 mM Tris-HCl (pH 7.5). The enzyme itself was the only substrate present (since autophosphorylation occurs); 100 uM 1NA-PP1 was used as a control inhibitor. Incubation time was 3 hours.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 1 uM
|
MMV: CDPK4 Protein kinase inhibition assay using recombinant PfCDPK4, syntide2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 2.5 uM
|
MMV: ProRS recombinant Plasmodium falciparum Prolyl-tRNA-synthetase, assay with yeast tRNA, ATP, and proline and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 2.5 uM
|
MMV: KRS recombinant Plasmodium falciparum Lysyl-tRNA-synthetase, assay with yeast tRNA, ATP, and lysine and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 4.32023906707764 uM
|
MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro).
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 16.1124172210693 uM
|
MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro).
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 30 uM
|
MMV: Primary screening was performed with each compound at a 30 uM final concentration and in triplicate in sealed 96-well polystyrene microtiter plates. Parasite inocula (100 ul) comprising 20000 parasites/ml were added to each well and grown at 37 degrees C in a humidified atmosphere of 5% CO2 for 72 h. Positive controls consisted of metronidazole at 1 mg/ml. The growth of E. histolytica trophozoites in each well was determined microscopically by measuring the diameters of the confluent cells in drug-containing wells relative to those in the nega- tive-control wells.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 30 uM
|
MMV: A total of 100ul of inoculum was added to each well (parasite/cell ratio, ~10:1; final volume, 200 ul). Six hours after inoculation, nonadherent parasites were removed, and 100 ul of complete DMEM (1% penicillin-streptomycin, 3% FBS) supplemented with inhibitors at different concentrations (2-fold serial dilutions starting from 30 uM) was added to all except the negative-control wells. Positive controls, consisting of pyrimethamine (PYR) and sulfadiazine (SDZ) (20-mg/ml stocks in DMSO), were tested at a 2mg/ml final concentration. Each test was performed in triplicate.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 32 uM
|
MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro.
|
ChEMBL.
|
No reference
|
IC50 |
> 32 uM
|
MMV: Cytotoxicity against human fibroblasts (MRC-5) cells.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
> 32 uM
|
MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro).
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= -10.742561899470221 %
|
MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= -10.7425618994702 %
|
MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 0.025483744940434094 %
|
MMV: Cryptosporidium parvum oocysts (Iowa Strain) were prepared for use by treatment with 10 mM HCl (37 degrees C, 10 min) followed by 2 mM sodium taurocholate in phosphate-buffered saline (PBS) with Ca2+ and Mg2+ (16 degrees C, 10 min) in order to stimulate excystation. The high-throughput screen was carried out by inoculating >90% confluent human ileocecal adenocarcinoma (HCT-8) cells (ATCC) with ~5.5 x 10^3 primed oocysts per well. Experimental compounds or DMSO (vehicle) were added three hours after infection, and cells were incubated for 48 hours.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 0.0254837449404341 %
|
MMV: Cryptosporidium parvum oocysts (Iowa Strain) were prepared for use by treatment with 10 mM HCl (37 degrees C, 10 min) followed by 2 mM sodium taurocholate in phosphate-buffered saline (PBS) with Ca2+ and Mg2+ (16 degrees C, 10 min) in order to stimulate excystation. The high-throughput screen was carried out by inoculating >90% confluent human ileocecal adenocarcinoma (HCT-8) cells (ATCC) with ~5.5 x 10^3 primed oocysts per well. Experimental compounds or DMSO (vehicle) were added three hours after infection, and cells were incubated for 48 hours.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 3.3 %
|
MMV: Screen against Mtb, single point, non replicating, at 25uM
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 4.77 %
|
MMV: Screen against Mtb, single point, replicating, at 25uM
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 7 %
|
MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 1.1uM (3 independent assay plates up to 12 cells per concentration).
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 13.930929150674 %
|
MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Female gamete formation was recorded 24 hr later by automated microscopy detection of surface labelling of female gametes with a Cy3-conjugated antibody reactive to Pfs25. All compounds were tested in 4 independent experiments and data presented here is the mean.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 18 %
|
MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 11.1uM (3 independent assay plates up to 12 cells per concentration).
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 22.2941933328726 %
|
MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Male gamete exflagellation was recorded and analysed by automated microscopy after 20 min. All compounds were tested in 4 independent experiments and data presented here is the mean.
|
ChEMBL.
|
No reference
|
Inhibition (functional)
|
= 100 %
|
MMV: Inhibition of Plasmodium falciparum 3D7 at 5uM compound concentration.
|
ChEMBL.
|
No reference
|
IZ |
= 0 mm
|
MMV: Selection for compounds that exhibit enhanced toxicity in combination with artemisinin. Assay utilized the disc diffusion method with the observance of a clear zone indicating inhibition of growth. Synthetic complete medium containing 3% glycerol as a carbon source (SCG) was used in each assay. 10 uL of each compound was added to a paper disc which was placed on SCG and SCG+Artemisinin (0.2 uM) plates seeded with 10e6 yeast cells (WC081 strain: Mat a, leu2 delta 0, lys2 delta 0, ura3 delta 0, his3 delta 1, pdr1 delta::HIS3, pdr3 delta::kanMX4, derived from BY4742, regulators of Multi-drug resistance transporters have been deleted to enhance toxicity of compounds). Plates were incubated at 30 degrees C for 5 days and clear zones were measured. Compounds that produced a larger clear zone in the presence of artemisinin was considered to have an additive interaction with artemisinin. Results are reported as diameter of clear zone on SCG+artemisinin plates - diameter of clear zone on SCG plates without artemisinin.
|
ChEMBL.
|
No reference
|
LD50 (ADMET)
|
= 1.258 g kg-1
|
rat oral acute median lethal dose (g/kg)
|
Saint Jude.
|
20485428
|
passive intestinal absorption level, where (a) 0 good; (b) 1 = moderate; (c) 2 = poor, (d) 3 = very poor (ADMET)
|
= 0
|
passive intestinal absorption level, where (a) 0 good; (b) 1 = moderate; (c) 2 = poor, (d) 3 = very poor
|
Saint Jude.
|
20485428
|
Percent growth inhibition (functional)
|
= 94.9 %
|
Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye
|
Saint Jude.
|
20485428
|
Percent growth inhibition (functional)
|
= 113.4 %
|
Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye
|
Saint Jude.
|
20485428
|
Ratio (functional)
|
= 1.19672131147541
|
MMV: Compounds (1uM) were screened in a 72hr growth assay monitored by flow cytometry both in the presence and absence of supplemental isopentenyl pyrophosphate (IPP) 200uM. Compounds which fail to show anti-malarial activity when chemically rescued by IPP are therefore specific to the apicoplast. The values are expressed as the ratio of the corresponding activity with and without IPP, respectively.
|
ChEMBL.
|
No reference
|
Relative Growth (functional)
|
= -0.1656
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing ethanol and glycerol as carbon sources (Yeast Nitrogen Base, Ethanol, Glycerol; YNBEG). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 180 OD readings, corresponding to roughly 45 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth.
|
ChEMBL.
|
No reference
|
Relative Growth (functional)
|
= -0.1052
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in rich media containing dextrose as a carbon source (Yeast Extract, Peptone, Dextrose; YPD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth.
|
ChEMBL.
|
No reference
|
Relative Growth (functional)
|
= 0.0442
|
MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing dextrose as a carbon source (Yeast Nitrogen Base, Dextrose; YNBD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings, corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth.
|
ChEMBL.
|
No reference
|
Toxicity (functional)
|
= 0
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 72 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF.
|
ChEMBL.
|
No reference
|
Toxicity (functional)
|
= 0
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 48 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF.
|
ChEMBL.
|
No reference
|
Toxicity (functional)
|
= 1
|
MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 24 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF.
|
ChEMBL.
|
No reference
|