Detailed information for compound 1308222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.368 | Formula: C17H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCc1cc2cc(C(=O)NC)c(=N)oc2cc1O
  • InChi: 1S/C17H22N2O3/c1-3-4-5-6-7-11-8-12-9-13(17(21)19-2)16(18)22-15(12)10-14(11)20/h8-10,18,20H,3-7H2,1-2H3,(H,19,21)
  • InChiKey: HLRQXOWVEJTJPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 corticotropin releasing hormone binding protein No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens tumor susceptibility 101 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Neospora caninum hypothetical protein 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
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase 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
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01931 tumor suppressor protein 101 [EC:6.3.2.19], putative Get druggable targets OG5_128950 All targets in OG5_128950
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1385 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2246 0.2246
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0747 0.5234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0366 0.0366
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0366 0.0846
Loa Loa (eye worm) hypothetical protein 0.0306 0.4325 0.6135
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.056 0.3835
Mycobacterium leprae Probable lipase LipE 0.0072 0.0747 0.5
Echinococcus granulosus geminin 0.0205 0.2776 0.2776
Loa Loa (eye worm) hypothetical protein 0.0483 0.705 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0366 0.0366
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Onchocerca volvulus 0.0072 0.0747 0.3189
Onchocerca volvulus 0.0043 0.0302 0.1288
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0366 0.0366
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0747 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0536 0.0536
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1385 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Echinococcus multilocularis geminin 0.0205 0.2776 0.2776
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0725 0.0725
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1531 0.2172
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0463 0.6744 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0747 0.5234
Brugia malayi beta-lactamase family protein 0.0072 0.0747 0.1728
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0366 0.0519
Schistosoma mansoni tsg101-related 0.0057 0.0511 0.0511
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.076 0.076
Brugia malayi PAS domain containing protein 0.0059 0.0536 0.124
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0747 0.1386
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0747 0.1728
Schistosoma mansoni lipoxygenase 0.01 0.1163 0.1163
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0747 0.1386
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0747 0.9723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0366 0.0366
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0725 0.0725
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.076 1
Schistosoma mansoni hypothetical protein 0.0205 0.2776 0.2776
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0302 0.0698
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1385 0.1385
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0501 0.0683
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2321 0.2321
Echinococcus granulosus hormone sensitive lipase 0.0483 0.705 0.705
Loa Loa (eye worm) beta-lactamase 0.0072 0.0747 0.106
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0483 0.705 0.705
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1531 0.2172
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0747 0.5234
Schistosoma mansoni hypothetical protein 0.0038 0.0219 0.0219
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.076 1
Mycobacterium ulcerans beta-lactamase 0.0072 0.0747 0.9723
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0747 0.0747
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1385 0.1385
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0725 0.0725
Brugia malayi beta-lactamase 0.0072 0.0747 0.1728
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Leishmania major hypothetical protein, conserved 0.0072 0.0747 0.5234
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Brugia malayi jmjC domain containing protein 0.0071 0.0725 0.1676
Schistosoma mansoni single-minded 0.0059 0.0536 0.0536
Schistosoma mansoni tsg101-related 0.007 0.0708 0.0708
Brugia malayi beta-lactamase family protein 0.0072 0.0747 0.1728
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0725 0.0725
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1385 0.1385
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0725 0.0725
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0219 0.0507
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0747 0.1386
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1385 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Echinococcus granulosus single minded 2 0.0043 0.0302 0.0302
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.076 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0223 0.3062 0.3062
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Schistosoma mansoni lipoxygenase 0.0142 0.1821 0.1821
Echinococcus granulosus GPCR family 2 0.0038 0.0219 0.0219
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.076 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0898 0.2076
Mycobacterium ulcerans hypothetical protein 0.0072 0.0747 0.9723
Schistosoma mansoni hypothetical protein 0.0205 0.2776 0.2776
Loa Loa (eye worm) hypothetical protein 0.0197 0.266 0.3773
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0747 0.0747
Loa Loa (eye worm) acetyltransferase 0.0175 0.2321 0.3292
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0648 0.4492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0366 0.0366
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.2489 0.6361
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Trichomonas vaginalis esterase, putative 0.0072 0.0747 0.1386
Schistosoma mansoni tsg101-related 0.007 0.0708 0.0708
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.076 0.076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0219 0.0507
Brugia malayi hypothetical protein 0.0197 0.266 0.6149
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0219 0.0311
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.076 0.0021
Trypanosoma brucei polo-like protein kinase 0.0114 0.1385 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.076 0.076
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0359 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0725 0.1028
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.076 0.5328
Leishmania major cathepsin L-like protease 0.0066 0.0648 0.4492
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0725 0.0725
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.2425 0.344
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Schistosoma mansoni hypothetical protein 0.0038 0.0219 0.0219
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0648 0.4492
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.3763 0.87
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0306 0.4325 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0425 0.0463
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0483 0.705 0.705
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.1483 0.2103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Leishmania major cathepsin L-like protease 0.0066 0.0648 0.4492
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0747 0.0747
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2321 0.5367
Onchocerca volvulus 0.0072 0.0747 0.3189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0366 0.0366
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1821 0.1821
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0747 0.106
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0057 0.0511 0.1486
Schistosoma mansoni hypothetical protein 0.0038 0.0219 0.0219
Giardia lamblia Kinase, PLK 0.0114 0.1385 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0366 0.0366
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0483 0.705 0.705
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0425 0.5681
Schistosoma mansoni kinase 0.0058 0.0524 0.0524
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0747 0.0747
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0725 0.0725
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0425 0.0463
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0084 0.0924 0.0924
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0747 0.1386
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0648 0.4492
Mycobacterium ulcerans lipase LipD 0.0072 0.0747 0.9723
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0501 0.0683
Brugia malayi hypoxia-induced factor 1 0.0182 0.2425 0.5608
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1385 0.5913
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0223 0.3062 0.3062
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0431 0.2872
Loa Loa (eye worm) hypothetical protein 0.0082 0.0898 0.1274
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0747 0.9723
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1385 0.3203
Echinococcus multilocularis GPCR, family 2 0.0038 0.0219 0.0219
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2321 0.2321
Brugia malayi jmjC domain containing protein 0.0071 0.0725 0.1676
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.1483 0.3428
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0219 0.0311
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1385 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0084 0.0924 0.0924
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0302 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Onchocerca volvulus 0.0072 0.0747 0.3189
Loa Loa (eye worm) hypothetical protein 0.0084 0.0924 0.131
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.3763 0.5337
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.076 0.076
Brugia malayi hypothetical protein 0.0084 0.0924 0.2135
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.2489 0.6361
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0747 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0747 0.106
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0747 0.1386
Brugia malayi MH2 domain containing protein 0.0124 0.1531 0.3541
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.2343 1
Schistosoma mansoni hypothetical protein 0.0082 0.0898 0.0898
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2343 0.5945
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1821 0.1821
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0219 0.0219
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0219 0.0219
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0648 0.4492
Leishmania major cathepsin L-like protease 0.0066 0.0648 0.4492
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.3763 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0425 0.0425
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1385 0.1965
Echinococcus multilocularis hormone sensitive lipase 0.0483 0.705 0.705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0648 0.4492
Toxoplasma gondii ABC1 family protein 0.0072 0.0747 0.9622
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1385 0.3208
Schistosoma mansoni hypothetical protein 0.0038 0.0219 0.0219

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.06 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3587 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 4.6061 uM PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 12.5893 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 28.1838 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) 30.1313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors and Activators of Purified Human alpha-Galactosidase. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors and Activators of Purified Human alpha-Glucosidase. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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