Detailed information for compound 1366276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.448 | Formula: C20H18N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1)Cn1nc(cc1C(=O)NCc1cccs1)c1ccccc1
  • InChi: 1S/C20H18N4O2S/c1-14-10-16(26-23-14)13-24-19(20(25)21-12-17-8-5-9-27-17)11-18(22-24)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,25)
  • InChiKey: GHNMCTCEVXCOLO-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0056 0.0467 0.048
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0061 0.1288
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0013 0.0028 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Loa Loa (eye worm) importin-beta domain-containing protein 0.0017 0.0064 0.0065
Loa Loa (eye worm) hypothetical protein 0.0031 0.0215 0.0221
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0349 0.3039
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0066 0.0571 0.4974
Plasmodium vivax SET domain protein, putative 0.0031 0.0208 0.2559
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0467 0.1332
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0006 0.0005
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0349 0.0997
Plasmodium vivax transportin, putative 0.0017 0.0064 0.0779
Schistosoma mansoni cpg binding protein 0.0033 0.0231 0.0237
Schistosoma mansoni aminopeptidase A (M01 family) 0.0013 0.0028 0.0028
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0061 0.052
Onchocerca volvulus 0.0031 0.0208 0.0876
Plasmodium vivax importin-beta 2, putative 0.0089 0.0809 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0382 0.0381
Schistosoma mansoni hypothetical protein 0.0011 0.0006 0.0005
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0025 0.0144 0.0148
Loa Loa (eye worm) glutathione reductase 0.0048 0.0382 0.0393
Brugia malayi glutathione reductase 0.0048 0.0382 0.1091
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.0467 0.1332
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0038 0.0282 0.029
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0061 0.052
Mycobacterium ulcerans aminopeptidase N PepN 0.0038 0.0282 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0148 0.182
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0044 0.0349 0.4309
Echinococcus granulosus importin 5 0.0017 0.0064 0.0065
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0013 0.0028 0.0333
Echinococcus multilocularis importin 5 0.0017 0.0064 0.0063
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0028 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Loa Loa (eye worm) hypothetical protein 0.0025 0.0144 0.0148
Loa Loa (eye worm) hypothetical protein 0.0025 0.0148 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0252 0.0901
Toxoplasma gondii HEAT repeat-containing protein 0.0089 0.0809 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0025 0.0144 0.125
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0089 0.0809 0.7053
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0382 0.0393
Schistosoma mansoni fkbp-rapamycin associated protein 0.0031 0.0215 0.0221
Trypanosoma cruzi target of rapamycin kinase 3 0.0056 0.0467 0.4063
Brugia malayi Importin beta-1 subunit 0.0089 0.0809 0.2311
Loa Loa (eye worm) hypothetical protein 0.0025 0.0144 0.0148
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0061 0.0173
Brugia malayi Pre-SET motif family protein 0.0031 0.0208 0.0593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0834 0.0834
Treponema pallidum NADH oxidase 0.0017 0.0061 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0834 0.0834
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Brugia malayi tumor suppressor. 0.035 0.3502 1
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0061 0.0738
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0031 0.0215 0.0214
Echinococcus granulosus leukotriene A 4 hydrolase 0.0013 0.0028 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0208 0.2559
Echinococcus granulosus importin subunit beta 1 0.0089 0.0809 0.0833
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Onchocerca volvulus 0.0239 0.2362 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0024 0.0141 0.014
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0467 0.048
Brugia malayi Peptidase family M1 containing protein 0.0038 0.0282 0.0805
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0834 0.0859
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0072 0.0635 0.2274
Echinococcus multilocularis transportin 1 0.0017 0.0064 0.0063
Echinococcus multilocularis serine protein kinase ATM 0.0077 0.0682 0.0681
Leishmania major GTP-binding protein, putative 0.0044 0.0349 0.3039
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0061 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0013 0.0028 0.0333
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Leishmania major phosphatidylinositol 3-kinase, putative 0.0056 0.0467 0.4063
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0148 0.1284
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.04 0.0412
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0056 0.0467 0.4063
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0013 0.0028 0.0333
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1896 0.6792
Schistosoma mansoni importin-beta 2 0.0017 0.0064 0.0065
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0013 0.0028 0.0028
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0056 0.0467 0.4063
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0061 0.0214
Loa Loa (eye worm) kap beta 3 protein 0.0017 0.0064 0.0065
Trypanosoma cruzi aminopeptidase, putative 0.0013 0.0028 0.0235
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0013 0.0028 0.0028
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0011 0.0001 0.0003
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0056 0.0467 0.6838
Trypanosoma brucei calpain, putative 0.0122 0.1147 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0072 0.0635 0.2274
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1138 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0282 0.0281
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Loa Loa (eye worm) hypothetical protein 0.0034 0.0239 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0141 0.0503
Loa Loa (eye worm) tumor suppressor 0.035 0.3502 0.3609
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0056 0.0467 0.048
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Brugia malayi hypothetical protein 0.0016 0.0057 0.0162
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0056 0.0467 0.4063
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0056 0.0467 0.0466
Trypanosoma brucei aminopeptidase, putative 0.0013 0.0028 0.0235
Brugia malayi hypothetical protein 0.0038 0.0282 0.0805
Schistosoma mansoni ran 0.0044 0.0349 0.0359
Loa Loa (eye worm) hypothetical protein 0.0013 0.0028 0.0028
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0031 0.0215 0.0221
Toxoplasma gondii target of rapamycin (TOR), putative 0.0056 0.0467 0.576
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0213 0.0218
Toxoplasma gondii HEAT repeat-containing protein 0.0017 0.0064 0.0779
Plasmodium falciparum thioredoxin reductase 0.0048 0.0382 0.4716
Trypanosoma brucei importin beta-1 subunit, putative 0.0089 0.0809 0.7053
Brugia malayi kap beta 3 protein 0.0017 0.0064 0.0182
Echinococcus multilocularis geminin 0.0523 0.5292 0.5291
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0061 0.0738
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0218
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0056 0.0467 0.4063
Toxoplasma gondii thioredoxin reductase 0.0048 0.0382 0.4716
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0028 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.037
Brugia malayi FAT domain containing protein 0.0024 0.0141 0.0404
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0168 0.1621 0.1621
Leishmania major hypothetical protein, conserved 0.0017 0.0064 0.0549
Schistosoma mansoni hypothetical protein 0.0024 0.0141 0.0145
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0061 0.0214
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1138 1
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0208 0.0213
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0144 0.0143
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Trichomonas vaginalis importin beta-1, putative 0.0072 0.0635 0.2274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Echinococcus granulosus hypothetical protein 0.003 0.0196 0.0201
Brugia malayi RNA, U transporter 1 0.0253 0.2504 0.715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0282 0.0281
Mycobacterium tuberculosis Probable reductase 0.0109 0.1013 0.8898
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0382 0.3353
Brugia malayi Pre-SET motif family protein 0.021 0.2063 0.5891
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0038 0.0282 0.0281
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Loa Loa (eye worm) peptidase family M1 containing protein 0.0013 0.0028 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Trichomonas vaginalis hypothetical protein 0.0017 0.0064 0.0226
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Brugia malayi hypothetical protein 0.003 0.0196 0.0559
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0056 0.0467 0.4063
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Brugia malayi TATA binding protein associated factor 0.0013 0.0028 0.0079
Echinococcus multilocularis dnaJ subfamily B 0.0445 0.4484 0.4484
Plasmodium falciparum transportin 0.0017 0.0064 0.0779
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0061 0.0738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Giardia lamblia GTOR 0.0056 0.0467 1
Schistosoma mansoni hypothetical protein 0.0523 0.5292 0.5453
Leishmania major hypothetical protein, conserved 0.0025 0.0148 0.1284
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Entamoeba histolytica HEAT repeat domain containing protein 0.0017 0.0064 0.0924
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0282 0.1007
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0282 0.2452
Schistosoma mansoni hypothetical protein 0.095 0.9703 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0031 0.0215 0.1869
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0349 0.0359
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0038 0.0282 0.2452
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1013 0.8898
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0061 0.0524
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0282 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0056 0.0467 0.4063
Schistosoma mansoni importin beta-1 0.0089 0.0809 0.0833
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0056 0.0467 0.4063
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0013 0.0028 0.0235
Echinococcus granulosus aminopeptidase N 0.0038 0.0282 0.029
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0056 0.0467 0.0466
Echinococcus multilocularis GPCR, family 2 0.0016 0.0052 0.0051
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1896 0.6792
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0208 0.0213
Echinococcus multilocularis translational activator gcn1 0.0017 0.0064 0.0063
Echinococcus granulosus transportin 1 0.0017 0.0064 0.0065
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.1147 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.0467 0.048
Onchocerca volvulus 0.0031 0.0213 0.0896
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.1147 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0028 0.0028
Echinococcus multilocularis cpg binding protein 0.0033 0.0231 0.023
Brugia malayi CXXC zinc finger family protein 0.0031 0.0213 0.0607
Loa Loa (eye worm) hypothetical protein 0.0201 0.197 0.203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0834 0.0859
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0196 0.0559
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2063 0.2126
Echinococcus multilocularis protein quaking 0.003 0.0196 0.0195
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1013 0.8898
Loa Loa (eye worm) TATA binding protein associated factor 0.0013 0.0028 0.0028
Leishmania major phosphatidylinositol kinase related protein, putative 0.0056 0.0468 0.4072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Echinococcus multilocularis importin subunit beta 1 0.0089 0.0809 0.0808
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0038 0.0282 0.2452
Loa Loa (eye worm) hypothetical protein 0.0031 0.0208 0.0213
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0281 0.2791 0.2876
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0056 0.0467 0.4063
Trypanosoma cruzi importin beta-1 subunit, putative 0.0072 0.0635 0.5536
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Echinococcus granulosus translational activator gcn1 0.0017 0.0064 0.0065
Toxoplasma gondii HEAT repeat-containing protein 0.0017 0.0064 0.0779
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1138 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0056 0.0467 0.4063
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0061 0.052
Loa Loa (eye worm) hypothetical protein 0.0025 0.0144 0.0148
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0349 0.3039
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0122 0.1147 1
Trypanosoma brucei hypothetical protein 0.0122 0.1147 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0061 0.052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Entamoeba histolytica hypothetical protein 0.0072 0.0635 0.9317
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0104 0.037
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0013 0.0028 0.0028
Brugia malayi Peptidase family M1 containing protein 0.0013 0.0028 0.0079
Brugia malayi Peptidase family M1 containing protein 0.0038 0.0282 0.0805
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0682 0.2441
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Schistosoma mansoni hypothetical protein 0.0523 0.5292 0.5453
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0061 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0038 0.0282 0.029
Brugia malayi hypothetical protein 0.0025 0.0148 0.0423
Leishmania major trypanothione reductase 0.0048 0.0382 0.3326
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0382 0.0393
Entamoeba histolytica aminopeptidase, putative 0.0038 0.0282 0.4127
Plasmodium falciparum glutathione reductase 0.0017 0.0061 0.0738
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0148 0.182
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0015 0.0044
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0834 0.0859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0148 0.1284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Echinococcus granulosus snurportin 1 0.095 0.9703 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0061 0.052
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0349 0.0348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0349 0.4309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0834 0.0859
Onchocerca volvulus 0.0038 0.0282 0.119
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0052 0.0147
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0682 0.1947
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0013 0.0028 0.0027
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0061 0.052
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0028 0.0235
Toxoplasma gondii aminopeptidase N protein 0.0013 0.0028 0.0333
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1013 0.8898
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Echinococcus granulosus serine protein kinase ATM 0.0077 0.0682 0.0702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0077 0.0682 0.5942
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0056 0.0467 0.4063
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0061 0.052
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0001 0.0003
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0122 0.1147 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Schistosoma mansoni hypothetical protein 0.0445 0.4484 0.4621
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0015 0.0044
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0282 0.0281
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1013 0.8898
Toxoplasma gondii aminopeptidase n, putative 0.0013 0.0028 0.0333
Loa Loa (eye worm) hypothetical protein 0.0024 0.0141 0.0145
Loa Loa (eye worm) aminopeptidase N 0.0038 0.0282 0.029
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.1147 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0052
Echinococcus granulosus protein quaking 0.003 0.0196 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0208 0.0213
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0031 0.0215 0.3146
Schistosoma mansoni hypothetical protein 0.003 0.0196 0.0201
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1138 1
Onchocerca volvulus Glucosylceramidase homolog 0.0184 0.1793 0.759
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0061 0.052
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.095 0.9703 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0282 0.029
Plasmodium falciparum thioredoxin reductase 0.0017 0.0061 0.0738
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0208 0.0207
Toxoplasma gondii FATC domain-containing protein 0.0077 0.0682 0.8425
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0006 0.0005
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0189 0.0194
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0077 0.0682 0.5942
Brugia malayi hypothetical protein 0.0013 0.0028 0.0079
Onchocerca volvulus 0.0038 0.0282 0.119
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0282 0.029
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0061 0.006
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0061 0.1281
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0282 0.2452
Echinococcus multilocularis aminopeptidase N 0.0038 0.0282 0.0281
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0809 0.0833
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0122 0.1147 1
Echinococcus granulosus geminin 0.0523 0.5292 0.5453
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0208 0.0213
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0215 0.0614
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0061 0.1288
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0148 0.182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.197 0.5626
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0056 0.0467 0.6838
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0061 0.052
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0282 0.1007
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0349 0.3039
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0239 0.0682
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0061 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0031 0.0215 0.3146
Entamoeba histolytica Ran family GTPase 0.0044 0.0349 0.5115
Loa Loa (eye worm) hypothetical protein 0.0066 0.0571 0.0588
Schistosoma mansoni hypothetical protein 0.003 0.0196 0.0201
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0056 0.0467 0.048
Loa Loa (eye worm) hypothetical protein 0.003 0.0196 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0208 0.0213
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0208 0.0207
Trichomonas vaginalis set domain proteins, putative 0.0239 0.2362 0.8465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0586 0.0603
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0056 0.0467 0.048
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0052 0.0147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0282 0.2452
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0052 0.0052
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0035 0.0252 0.311
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0056 0.0467 0.4063
Trypanosoma cruzi Aminopeptidase M1, putative 0.0038 0.0282 0.2452
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0061 0.1288
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0056 0.0468 0.4072
Trypanosoma cruzi aminopeptidase, putative 0.0038 0.0282 0.2452
Echinococcus multilocularis snurportin 1 0.095 0.9703 0.9703
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.1147 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0013 0.0028 0.0096
Trichomonas vaginalis ran, putative 0.0044 0.0349 0.1249
Onchocerca volvulus 0.0013 0.0028 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0349 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Loa Loa (eye worm) hypothetical protein 0.0013 0.0028 0.0028
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0834 0.2383
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0013 0.0028 0.0235
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0017 0.0064 0.0549
Trypanosoma brucei calpain-like protein, putative 0.0122 0.1147 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0282 0.0281
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0349 0.7481
Plasmodium vivax glutathione reductase, putative 0.0048 0.0382 0.4716
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0148 0.1284
Plasmodium falciparum glutathione reductase 0.0048 0.0382 0.4716
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0061 0.0738
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0035 0.0252 0.2193
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0148 0.182
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0168 0.1621 0.167
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0282 0.2452
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0017 0.0064 0.0549
Echinococcus granulosus GPCR family 2 0.0016 0.0052 0.0052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0051
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0513 0.633
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1793 0.6425
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0061 0.052
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0013 0.0028 0.0235
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0349 0.4309
Brugia malayi Thioredoxin reductase 0.0048 0.0382 0.1091
Leishmania major importin beta-1 subunit, putative 0.0072 0.0635 0.5536
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0281 0.2791 0.7969
Echinococcus granulosus dnaJ subfamily B 0.0445 0.4484 0.4621
Plasmodium falciparum importin beta, putative 0.0089 0.0809 1
Entamoeba histolytica hypothetical protein 0.0077 0.0682 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0028 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0834 0.0859
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.04 0.1143
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0013 0.0028 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1013 0.8898
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0122 0.1147 1
Echinococcus granulosus cpg binding protein 0.0033 0.0231 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0834 0.0859
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0024 0.0141 0.0145
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0077 0.0682 0.0702
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0056 0.0467 0.4063
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0282 0.0281
Loa Loa (eye worm) hypothetical protein 0.0035 0.0252 0.0259
Schistosoma mansoni cpg binding protein 0.0033 0.0231 0.0237
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0061 0.0738
Schistosoma mansoni ran 0.0044 0.0349 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0215 0.0768
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0282 0.029
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.2791 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0061 0.0061
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0382 0.3326
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1013 0.8898
Schistosoma mansoni hypothetical protein 0.0034 0.0239 0.0245
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0056 0.0467 0.4063
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0382 0.4716
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0061 0.0738
Trypanosoma brucei trypanothione reductase 0.0048 0.0382 0.3326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0467 0.1669
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0252 0.0901
Toxoplasma gondii aminopeptidase N, putative 0.0013 0.0028 0.0333

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7308 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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