Detailed information for compound 1368402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.419 | Formula: C22H20N4O3
  • H donors: 2 H acceptors: 3 LogP: 4.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2c(cc1CNCc1ccc3c(c1)OCO3)c(nn2c1ccccc1)C
  • InChi: 1S/C22H20N4O3/c1-14-18-10-16(12-23-11-15-7-8-19-20(9-15)29-13-28-19)22(27)24-21(18)26(25-14)17-5-3-2-4-6-17/h2-10,23H,11-13H2,1H3,(H,24,27)
  • InChiKey: OZGSLSBBAKQNJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.3714 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3714 1
Loa Loa (eye worm) T-complex protein 1 0.0022 0.0575 0.0597
Schistosoma mansoni hypothetical protein 0.0028 0.1415 0.1608
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0022 0.0575 0.0548
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0022 0.0575 0.0548
Loa Loa (eye worm) hypothetical protein 0.0028 0.1415 0.147
Loa Loa (eye worm) hypothetical protein 0.0088 0.9627 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2068 0.2068
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0605 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0605 0.0629
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3714 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.3714 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0847 0.0592
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.3714 1
Echinococcus multilocularis lamin 0.0033 0.2068 0.2325
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.3209 0.3945
Giardia lamblia TCP-1 chaperonin subunit beta 0.0022 0.0575 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7474 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.3209 0.3945
Loa Loa (eye worm) hypothetical protein 0.0052 0.4657 0.4838
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0605 0.13
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3548 0.4427
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3714 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.3714 0.4662
Schistosoma mansoni inositol monophosphatase 0.0045 0.3714 0.4509
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.3714 1
Brugia malayi T-complex protein 1, beta subunit 0.0022 0.0575 0.0575
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2068 0.2148
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2068 0.2148
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1337 0.151
Schistosoma mansoni hypothetical protein 0.0025 0.1022 0.1112
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.3209 0.3209
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.3075 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.2068 0.2432
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.043 0.0366
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0022 0.0575 0.0205
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.3714 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.043 0.0366
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0605 0.0096
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.3209 0.3333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.3209 0.3945
Loa Loa (eye worm) hypothetical protein 0.006 0.5826 0.6052
Brugia malayi Bromodomain containing protein 0.0046 0.3939 0.3939
Brugia malayi hypothetical protein 0.0022 0.0605 0.0605
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.043 0.0366
Loa Loa (eye worm) hypothetical protein 0.0032 0.1986 0.2063
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0022 0.0575 0.1215
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0022 0.0575 0.0205
Brugia malayi Calcitonin receptor-like protein seb-1 0.0088 0.9627 0.9627
Loa Loa (eye worm) hypothetical protein 0.0033 0.2068 0.2148
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0022 0.0575 0.0548
Schistosoma mansoni bromodomain containing protein 0.0076 0.8065 1
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0022 0.0575 0.1215
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0088 0.9627 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.3714 1
Brugia malayi T-complex protein 1, beta subunit 0.0022 0.0575 0.0575
Loa Loa (eye worm) hypothetical protein 0.0046 0.3951 0.4104
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0532 0.0552
Echinococcus granulosus intermediate filament protein 0.0033 0.2068 0.2325
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1337 0.1287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.3209 0.3945
Brugia malayi intermediate filament protein 0.0033 0.2068 0.2068
Loa Loa (eye worm) hypothetical protein 0.0049 0.4342 0.451
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.3714 0.5
Onchocerca volvulus 0.0033 0.2068 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0847 0.0891
Leishmania major hypothetical protein, conserved 0.0022 0.0605 0.13
Brugia malayi PHD-finger family protein 0.003 0.1728 0.1728
Echinococcus multilocularis lamin dm0 0.0033 0.2068 0.2325
Onchocerca volvulus 0.0033 0.2068 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0605 0.13
Loa Loa (eye worm) hypothetical protein 0.0085 0.9294 0.9654
Echinococcus granulosus lamin dm0 0.0033 0.2068 0.2325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.3209 0.3872
Echinococcus granulosus zinc finger protein 0.0024 0.0847 0.0592
Leishmania major T-complex protein 1, beta subunit, putative 0.0022 0.0575 0.1215
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3714 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.1022 0.1061
Brugia malayi Latrophilin receptor protein 2 0.0028 0.1415 0.1415
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0605 1
Echinococcus multilocularis musashi 0.0033 0.2068 0.2325
Schistosoma mansoni hypothetical protein 0.006 0.5826 0.7175
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.3075 0.5
Schistosoma mansoni inositol monophosphatase 0.0045 0.3714 0.4509
Schistosoma mansoni hypothetical protein 0.0028 0.1415 0.1608
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.1415 0.1398
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0605 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.3209 0.3872
Loa Loa (eye worm) hypothetical protein 0.0021 0.043 0.0447
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.5826 0.5826
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.1415 0.1398
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0605 0.13
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3548 0.4427
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.1415 0.147
Schistosoma mansoni lamin 0.0033 0.2068 0.2432
Schistosoma mansoni hypothetical protein 0.0028 0.1415 0.1608
Echinococcus granulosus lamin 0.0033 0.2068 0.2325
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.1415 0.1415
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.043 0.0366
Echinococcus granulosus GPCR family 2 0.0028 0.1415 0.1398
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.3209 0.3872
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1337 0.1287
Loa Loa (eye worm) inositol-1 0.0045 0.3714 0.3858
Echinococcus multilocularis GPCR, family 2 0.0028 0.1415 0.1398
Brugia malayi Inositol-1 0.0045 0.3714 0.3714
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.1415 0.1398
Schistosoma mansoni hypothetical protein 0.0028 0.1415 0.1608
Schistosoma mansoni lamin 0.0033 0.2068 0.2432
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.1415 0.1398
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.3714 0.4662
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0088 0.9627 0.9627
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7474 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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) = 39.8107 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) = 39.8107 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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