Detailed information for compound 1339197

Basic information

Technical information
  • TDR Targets ID: 1339197
  • Name: 3-Amino-7,8-dihydro-6H-1-thia-10-aza-dicyclop enta[b,g]naphthalene-2-carboxylic acid [4-(py rrolidine-1-sulfonyl)-phenyl]-amide
  • MW: 492.613 | Formula: C25H24N4O3S2
  • H donors: 2 H acceptors: 4 LogP: 4.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1sc2c(c1N)cc1c(n2)cc2c(c1)CCC2)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
  • InChi: 1S/C25H24N4O3S2/c26-22-20-13-17-12-15-4-3-5-16(15)14-21(17)28-25(20)33-23(22)24(30)27-18-6-8-19(9-7-18)34(31,32)29-10-1-2-11-29/h6-9,12-14H,1-5,10-11,26H2,(H,27,30)
  • InChiKey: LALFRNQALNPSBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000548794
  • SMR000171172
  • ASN 09649028

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) phosphatidylinositol 3 0.03 0.2929 0.3251
Mycobacterium tuberculosis Conserved hypothetical protein 0.0062 0.0451 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.0501
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0451 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.03 0.2929 0.3029
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0182 0.17 0.1887
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0045 0.0274 0.0274
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0041 0.0232 0.0257
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0082 0.0655 0.0727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0884 0.9011 1
Onchocerca volvulus 0.0062 0.0451 0.084
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0062 0.0451 0.0189
Entamoeba histolytica hypothetical protein 0.0172 0.1592 0.1496
Entamoeba histolytica hypothetical protein 0.0062 0.0451 0.0189
Leishmania major hypothetical protein, conserved 0.0041 0.0232 0.0257
Schistosoma mansoni immunophilin 0.0045 0.0274 0.0304
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0082 0.0655 0.0422
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0062 0.0451 0.0501
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0122 0.1068 0.1185
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0053 0.0349 0.0071
Onchocerca volvulus 0.0365 0.3602 1
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0041 0.0232 0.0257
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0884 0.9011 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0182 0.17 0.17
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0082 0.0655 0.0422
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0053 0.0349 0.0071
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0041 0.0232 0.0232
Echinococcus granulosus cpg binding protein 0.0037 0.0183 0.0203
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0053 0.0349 0.0071
Loa Loa (eye worm) hypothetical protein 0.0365 0.3602 0.3998
Loa Loa (eye worm) hypothetical protein 0.0109 0.0941 0.1045
Trichomonas vaginalis PIKK family atypical protein kinase 0.048 0.4802 0.5175
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.057
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0082 0.0655 0.0655
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0.0287 0.0318
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0884 0.9011 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0274 0.0304
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0128 0.1139 0.1139
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0062 0.0451 0.0677
Loa Loa (eye worm) hypothetical protein 0.0182 0.17 0.1887
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.03 0.2929 0.3251
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.848 0.848
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.0349 0.0387
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0062 0.0451 0.0501
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4946 0.5489
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0082 0.0655 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Entamoeba histolytica hypothetical protein 0.0211 0.2 0.1963
Schistosoma mansoni hypothetical protein 0.0128 0.1139 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.048 0.4802 0.5175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.1068 0.1185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0884 0.9011 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0082 0.0655 0.0982
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.0451 0.0501
Trypanosoma cruzi target of rapamycin kinase 3 0.0705 0.7146 0.7931
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0053 0.0349 0.5328
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.0349 0.0387
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0251 0.2412 0.2436
Leishmania major phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.0501
Entamoeba histolytica hypothetical protein 0.0062 0.0451 0.0189
Echinococcus granulosus microtubule associated protein 2 0.0833 0.848 0.9411
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0062 0.0451 0.0501
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0884 0.9011 1
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0041 0.0232 0.0348
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0884 0.9011 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1342 0.3429
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0082 0.0655 0.0727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.1592 0.1496
Schistosoma mansoni immunophilin 0.0053 0.0349 0.0387
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.0451 0.0501
Toxoplasma gondii FATC domain-containing protein 0.0172 0.1592 0.2388
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0172 0.1592 0.1766
Loa Loa (eye worm) phosphatidylinositol 3 0.0059 0.0417 0.0463
Schistosoma mansoni hypothetical protein 0.0494 0.4946 0.5489
Onchocerca volvulus 0.0062 0.0451 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0451 0.0189
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0451 0.6894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.5328 0.5779
Loa Loa (eye worm) hypothetical protein 0.0128 0.1139 0.1264
Echinococcus granulosus serine protein kinase ATM 0.0172 0.1592 0.1766
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0041 0.0232 0.0348
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0082 0.0655 0.0422
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0188 0.1762 0.1691
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0191 0.1789 0.2684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0595 0.5998 0.6547
Onchocerca volvulus 0.0047 0.0287 0.0361
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0053 0.0349 0.0071
Leishmania major hypothetical protein, conserved 0.0062 0.0451 0.0501
Brugia malayi hypothetical protein 0.0148 0.1342 0.1489
Echinococcus multilocularis serine protein kinase ATM 0.0172 0.1592 0.1592
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0053 0.0349 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0451 0.0189
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.0451 0.0501
Echinococcus multilocularis fk506 binding protein 0.0053 0.0349 0.0349
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0705 0.7146 0.7931
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0884 0.9011 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0172 0.1592 0.1766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.5328 0.5779
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0251 0.2412 0.2436
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0251 0.2412 0.2677
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0479 0.4794 0.5167
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.0349 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.03 0.2929 0.3029
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0884 0.9011 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0041 0.0232 0.0257
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.019 0.1779 0.1711
Onchocerca volvulus 0.0041 0.0232 0.0202
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0062 0.0451 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.03 0.2929 0.3029
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0.0287 0.4377
Loa Loa (eye worm) hypothetical protein 0.0148 0.1342 0.1489
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0062 0.0451 0.0501
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0082 0.0655 0.0727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0053 0.0349 0.0387
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0053 0.0349 0.0071
Echinococcus granulosus protein kinase shaggy 0.0047 0.0287 0.0318
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.0349 0.0387
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.03 0.2929 0.3251
Brugia malayi hypothetical protein 0.0365 0.3602 0.3998
Schistosoma mansoni immunophilin 0.0053 0.0349 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.048 0.4802 0.5175
Loa Loa (eye worm) hypothetical protein 0.0041 0.0232 0.0257
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0041 0.0232 0.0257
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.03 0.2929 0.3251
Brugia malayi prolyl 4-hydroxylase 0.0041 0.0232 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.1139 0.0977
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0287 0.0318
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0062 0.0451 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0576 0.5801 0.6321
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0041 0.0232 0.0348
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.03 0.2929 0.2929
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.1592 0.1766
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.6894
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0041 0.0232 0.0257
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0182 0.17 0.1887
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0053 0.0349 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0172 0.1592 0.1766
Leishmania major phosphatidylinositol 3-kinase, putative 0.03 0.2929 0.3251
Loa Loa (eye worm) hypothetical protein 0.0179 0.1666 0.1849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.5328 0.5779
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.7139 0.7854
Trichomonas vaginalis PIKK family atypical protein kinase 0.03 0.2929 0.3029
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0082 0.0655 0.0422
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0211 0.2 0.1963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0756 0.7673 0.8466
Leishmania major hypothetical protein, unknown function 0.0062 0.0451 0.0501
Leishmania major phosphatidylinositol kinase related protein, putative 0.0062 0.0451 0.0501
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0062 0.0451 0.0501
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0109 0.0941 0.1045
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0082 0.0655 0.0422
Giardia lamblia GTOR 0.0884 0.9011 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0422 0.4192 0.4192
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0122 0.1068 0.0895
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0884 0.9011 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0122 0.1068 0.1185
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0082 0.0655 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0172 0.1592 0.1766
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0082 0.0655 0.0727
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0251 0.2412 0.2436
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0421 0.4188 0.4648
Entamoeba histolytica hypothetical protein 0.0062 0.0451 0.0189
Schistosoma mansoni cpg binding protein 0.0035 0.0162 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.5274 0.5717
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0062 0.0451 0.0189
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0705 0.7146 0.7931
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0451 0.0501
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4946 0.4946
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0062 0.0451 0.0501
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.015 0.1367 0.1238
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.0349 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.1592 0.1496
Giardia lamblia Phosphatidylinositol 4-kinase 0.0062 0.0451 0.0189
Leishmania major phosphatidylinositol 3-related kinase, putative 0.03 0.2929 0.3251
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.1068 0.0895
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0172 0.1592 0.1592
Toxoplasma gondii target of rapamycin (TOR), putative 0.0659 0.6666 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0241 0.2316 0.2326
Leishmania major phosphatidylinositol 3-kinase, putative 0.0082 0.0655 0.0727
Leishmania major fk506-binding protein 1-like protein 0.0053 0.0349 0.0387
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0041 0.0232 0.0348
Giardia lamblia Hypothetical protein 0.0062 0.0451 0.0189
Brugia malayi intracellular kinase 0.0047 0.0287 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.03 0.2929 0.3029
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.019 0.1779 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.1592 0.1496
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.6894
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0053 0.0349 0.0387
Brugia malayi CXXC zinc finger family protein 0.0035 0.0162 0.018
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0082 0.0655 0.0727
Loa Loa (eye worm) phosphatidylinositol kinase 0.0062 0.0451 0.0501
Leishmania major peptidylprolyl isomerase-like protein 0.0053 0.0349 0.0387
Schistosoma mansoni fkbp-rapamycin associated protein 0.0172 0.1592 0.1766
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.0349 0.0387
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0053 0.0349 0.0071
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0062 0.0451 0.0451
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0172 0.1592 0.1496
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.03 0.2929 0.3251
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0884 0.9011 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0059 0.0417 0.0463
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0062 0.0451 0.0501
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0287 0.0318
Echinococcus multilocularis 0.0062 0.0451 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0082 0.0655 0.0727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.7139 0.7854
Echinococcus multilocularis Zinc finger, PHD finger 0.0082 0.0655 0.0655
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0122 0.1068 0.1185
Leishmania major hypothetical protein, unknown function 0.0041 0.0232 0.0257
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0062 0.0451 0.0501
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0062 0.0451 0.6894
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0062 0.0451 0.0677
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.0451 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Trichomonas vaginalis conserved hypothetical protein 0.0191 0.1789 0.1722
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.03 0.2929 0.3251
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0567 0.063
Entamoeba histolytica protein kinase rad3, putative 0.0172 0.1592 0.1496
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0451 0.0501
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0062 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0191 0.1789 0.1986
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.03 0.2929 0.3251
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0045 0.0274 0.0304
Loa Loa (eye worm) phosphatidylinositol 3 0.0884 0.9011 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0062 0.0451 0.0189
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0162 0.018
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0062 0.0451 0.6894
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0062 0.0451 0.0451
Trypanosoma brucei protein kinase, putative 0.0047 0.0287 0.0318
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.848 0.9411
Loa Loa (eye worm) FKBP5 protein 0.0053 0.0349 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0941 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.7139 0.7854
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0062 0.0451 0.0677
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0251 0.2412 0.2677
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0062 0.0451 0.0501
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0251 0.2412 0.2436
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.1592 0.1766
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0062 0.0451 0.0501
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.1068 0.0895
Leishmania major phosphatidylinositol kinase, putative 0.0062 0.0451 0.0501
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0.0287 0.4377
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0082 0.0655 0.0727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.7139 0.7854
Loa Loa (eye worm) hypothetical protein 0.0315 0.3082 0.342
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0.0287 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0479 0.4794 0.5167
Trichomonas vaginalis immunophilin, putative 0.0053 0.0349 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.0941 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0479 0.4794 0.5167
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0171 0.1581 0.1755
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0053 0.0349 0.0387
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0053 0.0349 0.0387
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0062 0.0451 0.6894
Echinococcus multilocularis cpg binding protein 0.0037 0.0183 0.0183
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0884 0.9011 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.0287 0.0318
Schistosoma mansoni cpg binding protein 0.0037 0.0183 0.0203
Loa Loa (eye worm) hypothetical protein 0.0172 0.1592 0.1766
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0884 0.9011 1
Brugia malayi FAT domain containing protein 0.0128 0.1139 0.1264
Loa Loa (eye worm) hypothetical protein 0.0148 0.1342 0.1489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0422 0.4192 0.4652
Plasmodium vivax hypothetical protein 0.0062 0.0451 0.6894
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0884 0.9011 1
Echinococcus multilocularis protein kinase shaggy 0.0047 0.0287 0.0287
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.0349 0.0387
Onchocerca volvulus Huntingtin homolog 0.0148 0.1342 0.3429
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0422 0.4192 0.4652
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.0349 0.0387
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0884 0.9011 0.9011
Loa Loa (eye worm) hypothetical protein 0.0062 0.0451 0.0501
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0102 0.0864 0.0662
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.0287 0.0287
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0371 0.3661 0.4063
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0082 0.0655 0.0982
Schistosoma mansoni hypothetical protein 0.0062 0.0451 0.0501
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0082 0.0655 0.0727
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0053 0.0349 0.5328
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.6666 0.7313
Schistosoma mansoni cpg binding protein 0.0037 0.0183 0.0203
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0122 0.1068 0.0895
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0143 0.1288 0.1147
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0082 0.0655 0.0727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0884 0.9011 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0082 0.0655 0.0727
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.03 0.2929 0.3251
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0486 0.0728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.5274 0.5717
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0128 0.1139 0.1264
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0251 0.2412 0.2677
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0451 0.5
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0041 0.0232 0.0257
Loa Loa (eye worm) phosphatidylinositol 3 0.0382 0.3779 0.4194
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.0287 0.0318
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0.0287 0.043
Trichomonas vaginalis fk506-binding protein, putative 0.0053 0.0349 0.0071
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0172 0.1592 0.1766
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0053 0.0349 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.7139 0.7854
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.1068 0.0895
Trichomonas vaginalis PIKK family atypical protein kinase 0.048 0.4802 0.5175

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6513 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1.8356 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8526 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 (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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