Detailed information for compound 1414206

Basic information

Technical information
  • TDR Targets ID: 1414206
  • Name: STOCK4S-60673
  • MW: 417.527 | Formula: C23H23N5OS
  • H donors: 0 H acceptors: 3 LogP: 4.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1cccs1
  • InChi: 1S/C23H23N5OS/c1-2-3-4-7-12-27-15-24-21-19(23(27)29)20-22(28(21)14-16-9-8-13-30-16)26-18-11-6-5-10-17(18)25-20/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3
  • InChiKey: SMYUZCFJQXXDNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000041350
  • ZINC04301850
  • SMR000045133

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Toxoplasma gondii deoxyhypusine synthase 0.0212 0.4958 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.098 0.098
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0296 0.0296
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.026 0.622 0.622
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0585 0.066
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0761 0.0858
Echinococcus granulosus deoxyhypusine synthase 0.0212 0.4958 0.4958
Loa Loa (eye worm) hypothetical protein 0.0337 0.8217 0.9262
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1361 1
Leishmania major hypothetical protein, conserved 0.0043 0.0585 0.0625
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.2767 0.4116
Echinococcus granulosus glutamate receptor subunit protein glur 0.0058 0.096 0.096
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0585 0.0832
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0296 0.0534
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Schistosoma mansoni glutamate receptor NMDA 0.026 0.622 0.622
Onchocerca volvulus 0.0043 0.0585 0.0973
Brugia malayi Glutamate receptor 2 precursor 0.0143 0.3171 0.3574
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.2434 0.3616
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0159 0.3592 0.3592
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1361 0.1361
Loa Loa (eye worm) beta-lactamase 0.0043 0.0585 0.066
Schistosoma mansoni survival motor neuron protein 0.0048 0.0699 0.0699
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6675 1
Loa Loa (eye worm) glutathione reductase 0.005 0.0761 0.0858
Plasmodium falciparum thioredoxin reductase 0.005 0.0761 0.1536
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0585 0.0585
Brugia malayi beta-lactamase family protein 0.0043 0.0585 0.066
Trypanosoma cruzi deoxyhypusine synthase, putative 0.008 0.1535 0.1699
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0585 0.1181
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.1489 0.1489
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0058 0.096 0.096
Mycobacterium tuberculosis Probable reductase 0.0115 0.2434 0.3616
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1056 0.1056
Plasmodium vivax glutathione reductase, putative 0.005 0.0761 0.1536
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0159 0.3592 0.3592
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0761 0.1097
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0585 0.2021
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.2434 0.8784
Brugia malayi deoxyhypusine synthase 0.0212 0.4958 0.5589
Brugia malayi CXXC zinc finger family protein 0.0028 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.0235 0.5552 0.6258
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0022 0.0033 0.0067
Leishmania major trypanothione reductase 0.005 0.0761 0.0824
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0058 0.096 0.096
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.2767 0.4116
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0705 0.0795
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0585 0.0585
Mycobacterium ulcerans lipase LipD 0.0043 0.0585 0.4159
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0058 0.096 0.096
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0022 0.0033 0.0033
Brugia malayi Glutamate receptor 1 precursor 0.0143 0.3171 0.3574
Brugia malayi Thioredoxin reductase 0.005 0.0761 0.0858
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0761 0.0824
Echinococcus multilocularis 0.0022 0.0033 0.0033
Onchocerca volvulus 0.0043 0.0585 0.0973
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0159 0.3592 0.3592
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0362 0.8872 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1361 0.1503
Onchocerca volvulus 0.0028 0.0196 0.0325
Loa Loa (eye worm) hypothetical protein 0.0362 0.8872 1
Schistosoma mansoni glutamate receptor kainate 0.0143 0.3171 0.3171
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0888 0.1737
Echinococcus granulosus glutamate receptor NMDA 0.0084 0.1634 0.1634
Loa Loa (eye worm) hypothetical protein 0.0032 0.0296 0.0334
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1361 1
Leishmania major deoxyhypusine synthase;with=GeneDB:Linj34_V3.0350 0.008 0.1535 0.1699
Brugia malayi beta-lactamase family protein 0.0043 0.0585 0.066
Trypanosoma cruzi deoxyhypusine synthase, putative 0.0212 0.4958 0.5572
Brugia malayi Pre-SET motif family protein 0.0032 0.0296 0.0334
Schistosoma mansoni glutamate receptor kainate 0.0143 0.3171 0.3171
Schistosoma mansoni hypothetical protein 0.0406 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Mycobacterium leprae Probable lipase LipE 0.0043 0.0585 0.2021
Echinococcus multilocularis protoporphyrinogen oxidase 0.0022 0.0033 0.0033
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.5552 0.5552
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0022 0.0033 0.0067
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0585 0.0832
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0196 0.0221
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1948 0.1948
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0159 0.3592 0.3592
Loa Loa (eye worm) hypothetical protein 0.01 0.2047 0.2308
Schistosoma mansoni lipoxygenase 0.0059 0.098 0.098
Leishmania major deoxyhypusine synthase, putative 0.0212 0.4958 0.5572
Entamoeba histolytica deoxyhypusine synthase, putative 0.0212 0.4958 1
Echinococcus multilocularis glutamate receptor 2 0.0159 0.3592 0.3592
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0058 0.096 0.096
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.1489 0.1489
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0022 0.0033 0.0067
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0033 0.0033
Loa Loa (eye worm) glutamate receptor 2 0.0143 0.3171 0.3574
Plasmodium vivax SET domain protein, putative 0.0032 0.0296 0.0597
Echinococcus multilocularis nmda type glutamate receptor 0.0162 0.3663 0.3663
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0024 0.0078 0.0092
Brugia malayi Pre-SET motif family protein 0.0222 0.522 0.5883
Brugia malayi Trypsin family protein 0.0096 0.1948 0.2196
Onchocerca volvulus 0.0048 0.0699 0.1162
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0761 0.1536
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0058 0.096 0.096
Echinococcus multilocularis glutamate receptor 2 0.0143 0.3171 0.3171
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Schistosoma mansoni glutamate receptor kainate 0.0143 0.3171 0.3171
Brugia malayi hypothetical protein 0.0022 0.0033 0.0037
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0761 0.0761
Echinococcus granulosus cpg binding protein 0.003 0.0238 0.0238
Schistosoma mansoni amine oxidase 0.0022 0.0033 0.0033
Echinococcus granulosus nmda type glutamate receptor 0.0162 0.3663 0.3663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1361 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0585 0.0832
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0022 0.0033 0.0033
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0585 0.4159
Trypanosoma brucei deoxyhypusine synthase 0.0212 0.4958 0.5277
Brugia malayi amine oxidase, flavin-containing family protein 0.0022 0.0033 0.0037
Echinococcus multilocularis deoxyhypusine synthase 0.0212 0.4958 0.4958
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0078 0.1485 0.1485
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0699 0.0788
Loa Loa (eye worm) hypothetical protein 0.0096 0.1948 0.2196
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Giardia lamblia Deoxyhypusine synthase, putative 0.0212 0.4958 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0585 0.0585
Mycobacterium tuberculosis Conserved protein 0.0043 0.0585 0.0832
Echinococcus multilocularis dnaJ subfamily B 0.0406 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0585 0.0832
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0761 0.0761
Echinococcus granulosus glutamate receptor 2 0.0159 0.3592 0.3592
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1361 0.2697
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0585 0.0832
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.098 0.098
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0159 0.3592 0.3592
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0296 0.0296
Toxoplasma gondii ABC1 family protein 0.0043 0.0585 0.1122
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.5552 0.5552
Echinococcus granulosus glutamate NMDA receptor subunit 0.026 0.622 0.622
Trypanosoma brucei C-8 sterol isomerase, putative 0.0362 0.8872 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Schistosoma mansoni ATP-binding cassette transporter 0.0143 0.3171 0.3171
Onchocerca volvulus 0.0043 0.0585 0.0973
Onchocerca volvulus 0.0022 0.0033 0.0055
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0022 0.0033 0.0033
Plasmodium vivax deoxyhypusine synthase, putative 0.0212 0.4958 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0585 0.4159
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.025 0.025
Entamoeba histolytica deoxyhypusine synthase, putative 0.0212 0.4958 1
Brugia malayi hypothetical protein 0.0235 0.5552 0.6258
Schistosoma mansoni cpg binding protein 0.003 0.0238 0.0238
Loa Loa (eye worm) glutamate receptor 1 0.0143 0.3171 0.3574
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0033 0.0067
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1948 0.1948
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.2767 0.4116
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0296 0.0296
Onchocerca volvulus 0.0087 0.1727 0.2869
Brugia malayi glutathione reductase 0.005 0.0761 0.0858
Echinococcus multilocularis glutamate receptor NMDA 0.0084 0.1634 0.1634
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0585 0.0832
Schistosoma mansoni hypothetical protein 0.0048 0.0699 0.0699
Toxoplasma gondii thioredoxin reductase 0.005 0.0761 0.1479
Schistosoma mansoni glutamate receptor AMPA 0.0143 0.3171 0.3171
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0159 0.3592 0.3592
Trichomonas vaginalis set domain proteins, putative 0.0252 0.6014 1
Schistosoma mansoni cpg binding protein 0.0028 0.0196 0.0196
Schistosoma mansoni amine oxidase 0.0022 0.0033 0.0033
Echinococcus multilocularis cpg binding protein 0.003 0.0238 0.0238
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Trypanosoma brucei deoxyhypusine synthase 0.008 0.1535 0.1146
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.2434 0.3616
Chlamydia trachomatis protoporphyrinogen oxidase 0.0022 0.0033 0.5
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0033 0.0067
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1361 0.1361
Mycobacterium ulcerans beta-lactamase 0.0043 0.0585 0.4159
Brugia malayi beta-lactamase 0.0043 0.0585 0.066
Schistosoma mansoni deoxyhypusine synthase 0.0212 0.4958 0.4958
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.2434 0.3616
Brugia malayi SWIRM domain containing protein 0.0022 0.0033 0.0037
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.522 0.5883
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0585 0.0625
Loa Loa (eye worm) hypothetical protein 0.0096 0.1948 0.2196
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0585 0.0585
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.066
Schistosoma mansoni glutamate receptor AMPA 0.0143 0.3171 0.3171
Mycobacterium tuberculosis Conserved protein 0.0043 0.0585 0.0832
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0362 0.8872 1
Trichomonas vaginalis deoxyhypusine synthase, putative 0.0212 0.4958 0.8056
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Schistosoma mansoni hypothetical protein 0.0058 0.096 0.096
Brugia malayi Cytochrome P450 family protein 0.0048 0.0705 0.0795
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0585 0.0625
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0058 0.096 0.096
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1361 0.1361
Echinococcus multilocularis glutamate receptor 2 0.0101 0.2087 0.2087
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.2434 0.3616
Leishmania major C-8 sterol isomerase-like protein 0.0362 0.8872 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0585 0.066
Trypanosoma brucei trypanothione reductase 0.005 0.0761 0.0212
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0033 0.0033
Plasmodium falciparum protoporphyrinogen oxidase 0.0022 0.0033 0.0067
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.2434 0.3616
Onchocerca volvulus 0.0032 0.0296 0.0492
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0159 0.3592 0.3592
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Schistosoma mansoni cpg binding protein 0.003 0.0238 0.0238
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0585 0.0832
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0585 0.0832
Onchocerca volvulus 0.0252 0.6017 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0585 0.4159
Echinococcus granulosus nmda type glutamate receptor 0.01 0.2054 0.2054
Plasmodium falciparum deoxyhypusine synthase 0.0212 0.4958 1
Trypanosoma cruzi deoxyhypusine synthase, putative 0.008 0.1535 0.1699
Plasmodium falciparum glutathione reductase 0.005 0.0761 0.1536
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1361 0.2
Echinococcus multilocularis NMDA receptor 0.0058 0.096 0.096
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0159 0.3592 0.3592
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0022 0.0033 0.0067
Loa Loa (eye worm) deoxyhypusine synthase 0.0212 0.4958 0.5589
Loa Loa (eye worm) hypothetical protein 0.0185 0.4268 0.4811
Onchocerca volvulus 0.0096 0.1948 0.3238
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.2767 1
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.2054 0.2054
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0296 0.0296
Brugia malayi hypothetical protein 0.0129 0.2817 0.3176
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0037
Echinococcus granulosus glutamate receptor 2 0.0101 0.2087 0.2087
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1361 0.1361
Schistosoma mansoni glutamate receptor NMDA 0.0243 0.577 0.577

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.