Detailed information for compound 1284419

Basic information

Technical information
  • TDR Targets ID: 1284419
  • Name: methyl 2-(5-hydroxy-4,7-dimethyl-2-oxochromen -3-yl)acetate
  • MW: 262.258 | Formula: C14H14O5
  • H donors: 1 H acceptors: 3 LogP: 1.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)C
  • InChi: 1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
  • InChiKey: LTALDERGPAZTDC-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • methyl 2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetate
  • 2-(5-hydroxy-4,7-dimethyl-2-oxo-3-chromenyl)acetic acid methyl ester
  • 2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetic acid methyl ester
  • methyl 2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)ethanoate
  • ZINC00615034
  • MLS000065141
  • SMR000078626
  • methyl (5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetate
  • BB_NC-1830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Envelope polyprotein GP160 Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0355 0.0492
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0172 0.0239
Loa Loa (eye worm) glutaminase 2 0.033 0.5699 0.7901
Brugia malayi glutaminase DH11.1 0.033 0.5699 0.7901
Loa Loa (eye worm) hypothetical protein 0.006 0.0647 0.0897
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0411 0.7213 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0337 0.0337
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3203 0.3203
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0049 0.0068
Loa Loa (eye worm) glutaminase 0.033 0.5699 0.7901
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0355 0.0492
Brugia malayi Pre-SET motif family protein 0.0036 0.0195 0.027
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0411 0.7213 0.7213
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0291 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0554 0.0554
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0337 0.0468
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0337 0.0468
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0268 0.4545 0.6109
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0172 0.0239
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0411 0.7213 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0195 0.027
Schistosoma mansoni alpha-glucosidase 0.0169 0.269 0.3729
Trypanosoma brucei glucosidase, putative 0.0044 0.0337 0.0468
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.027
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.3203 0.3203
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.0239
Schistosoma mansoni alpha-glucosidase 0.0169 0.269 0.3729
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0337 0.9502
Brugia malayi glucose-6-phosphate dehydrogenase 0.0411 0.7213 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0337 0.0468
Plasmodium vivax SET domain protein, putative 0.0036 0.0195 0.027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0647 0.0897
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0411 0.7213 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0337 0.0468
Brugia malayi Importin beta-1 subunit 0.0035 0.0172 0.0239
Onchocerca volvulus 0.0114 0.165 0.311
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3203 0.3203
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0172 0.0239
Schistosoma mansoni glutaminase 0.033 0.5699 0.7901
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0195 0.027
Schistosoma mansoni alpha glucosidase 0.0044 0.0337 0.0468
Brugia malayi Inositol-1 0.0045 0.0355 0.0492
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0337 0.0468
Echinococcus granulosus snurportin 1 0.0372 0.6478 0.6478
Schistosoma mansoni hypothetical protein 0.0041 0.0291 0.0403
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0355 0.0492
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0647 0.0897
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0337 0.0468
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4225 0.5857
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0411 0.7213 0.7213
Loa Loa (eye worm) hypothetical protein 0.0041 0.0291 0.0403
Leishmania major importin beta-1 subunit, putative 0.0028 0.0049 0.0068
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0355 0.0492
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0554 0.0554
Brugia malayi RNA, U transporter 1 0.0099 0.1374 0.1904
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0143 0.2189 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0355 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0355 0.0492
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0355 0.0492
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 0.5
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0411 0.7213 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0355 0.0355
Brugia malayi Pre-SET motif family protein 0.0251 0.4225 0.5857
Echinococcus multilocularis snurportin 1 0.0372 0.6478 0.6478
Echinococcus granulosus importin subunit beta 1 0.0035 0.0172 0.0172
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0355 0.0492
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4875 0.6758
Echinococcus multilocularis neuropeptide s receptor 0.056 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0554 0.0768
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0337 0.0468
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0195 0.0195
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0372 0.6478 0.8981
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0268 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0337 0.0468
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0554 0.0554
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.3203 0.444
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0195 0.027
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.6478 0.8981
Mycobacterium ulcerans glutaminase 0.033 0.5699 0.7792
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0337 0.0468
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.3203 0.444
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0411 0.7213 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 1
Entamoeba histolytica hypothetical protein 0.0028 0.0049 0.1374
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0554 0.0768
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0337 0.0468
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0049 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0554 0.0554
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0195 0.0195
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0337 0.0468
Plasmodium falciparum importin beta, putative 0.0035 0.0172 0.0239
Echinococcus multilocularis neuropeptide receptor A26 0.056 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0049 0.0068
Plasmodium vivax importin-beta 2, putative 0.0035 0.0172 0.0239
Echinococcus granulosus neuropeptide receptor A26 0.056 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0554 0.0768
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0337 0.9502
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0355 0.0355
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0268 0.4545 0.63
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0554 0.0768
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0337 0.0468
Trichomonas vaginalis glutaminase, putative 0.033 0.5699 0.7901
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0411 0.7213 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0195 0.027
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0337 0.0468
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0647 0.0897
Schistosoma mansoni importin beta-1 0.0035 0.0172 0.0239
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0136 0.2069 0.2869
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.017 0.017
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0337 0.0468
Schistosoma mansoni inositol monophosphatase 0.0045 0.0355 0.0492
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0195 0.027
Onchocerca volvulus 0.0286 0.4875 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0049 0.0068
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0355 0.0492
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0132 0.1996 0.2766
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0411 0.7213 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0411 0.7213 1
Loa Loa (eye worm) inositol-1 0.0045 0.0355 0.0492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0554 0.0768
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0355 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0411 0.7213 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0195 0.0195
Schistosoma mansoni inositol monophosphatase 0.0045 0.0355 0.0492
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0337 0.0468
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0172 0.0172

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1297, 1032 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1301 (Confirmation screen.), 1048 (Primary screen.)] ChEMBL. No reference
EC50 (binding) > 79.37 uM PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1300, AID1808, AID504735, AID631] ChEMBL. No reference
IC50 (functional) 11.947 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PGV04, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 19.152 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PG126, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 56.132 uM PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay for small molecules that bind to the HIV-1-gp120 binding antibody, PG9. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 6.5131 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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