Detailed information for compound 1419058

Basic information

Technical information
  • TDR Targets ID: 1419058
  • Name: (3aS,5aS,6Z,8R,9S,9aS,9bS)-8,9-dihydroxy-6-(2 -methylpropoxyimino)-2-(phenylmethyl)-4,5,5a, 7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1 ,3-dione
  • MW: 414.495 | Formula: C23H30N2O5
  • H donors: 2 H acceptors: 4 LogP: 1.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CO/N=C\1/C[C@@H](O)[C@H]([C@H]2[C@@H]1CC[C@H]1[C@H]2C(=O)N(C1=O)Cc1ccccc1)O)C
  • InChi: 1S/C23H30N2O5/c1-13(2)12-30-24-17-10-18(26)21(27)19-15(17)8-9-16-20(19)23(29)25(22(16)28)11-14-6-4-3-5-7-14/h3-7,13,15-16,18-21,26-27H,8-12H2,1-2H3/b24-17-/t15-,16+,18-,19+,20-,21-/m1/s1
  • InChiKey: NZSHQNUZJOFWFT-BOXUHVKZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3aS,5aS,6Z,8R,9S,9aS,9bS)-8,9-dihydroxy-6-isobutoxyimino-2-(phenylmethyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione
  • (3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(benzyl)-8,9-dihydroxy-6-isobutoxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0527 0.0839 0.0866
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Brugia malayi isocitrate dehydrogenase 0.0036 0.0034 0.0034
Schistosoma mansoni nuclear receptor 0.0248 0.0383 0.0388
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0173 0.0259 0.3134
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0173 0.0259 0.0767
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0501 0.0797 0.2478
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Brugia malayi serine/threonine-protein kinase plk-2 0.039 0.0616 0.0616
Brugia malayi nuclear receptor RXR 0.0278 0.0432 0.0432
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0501 0.0797 0.0786
Brugia malayi Latrophilin receptor protein 2 0.0103 0.0144 0.0144
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0103 0.0144 0.0144
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0034 0.0273
Brugia malayi steroid hormone receptor 0.0527 0.0839 0.0839
Loa Loa (eye worm) isocitrate dehydrogenase 0.0036 0.0034 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0527 0.0839 0.0839
Echinococcus multilocularis peptidase Clp (S14 family) 0.0329 0.0514 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0527 0.0839 0.0839
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0248 0.0383 0.1545
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Loa Loa (eye worm) steroid hormone receptor 0.0527 0.0839 0.0839
Brugia malayi nuclear hormone receptor 0.0248 0.0383 0.0383
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0028 0.0022 0.0144
Loa Loa (eye worm) hypothetical protein 0.0278 0.0432 0.0432
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0248 0.0383 0.037
Brugia malayi Pip kinase protein 2 0.0349 0.0547 0.0547
Trypanosoma cruzi polo-like protein kinase, putative 0.039 0.0616 1
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0527 0.0839 0.0827
Brugia malayi Nuclear hormone receptor-like 1 0.0278 0.0432 0.0432
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0527 0.0839 0.0866
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0028 0.0022 0.0009
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0248 0.0383 0.037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0527 0.0839 0.0839
Schistosoma mansoni zinc finger protein 0.0248 0.0383 0.0388
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1978 0.3218 1
Entamoeba histolytica fatty acid elongase, putative 0.0257 0.0397 0.6369
Brugia malayi tailless protein 0.0248 0.0383 0.0383
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0527 0.0839 0.0827
Brugia malayi follicle stimulating hormone receptor 0.028 0.0434 0.0434
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0527 0.0839 0.0827
Entamoeba histolytica fatty acid elongase, putative 0.0257 0.0397 0.6369
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0527 0.0839 0.0827
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0329 0.0514 0.1565
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0527 0.0839 0.0839
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.5839 0.9544 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0248 0.0383 0.037
Schistosoma mansoni hypothetical protein 0.0103 0.0144 0.0137
Brugia malayi orphan nuclear receptor NR2E1 0.0248 0.0383 0.0383
Schistosoma mansoni nuclear receptor 0.0248 0.0383 0.0388
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.035
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0036 0.0034 0.0067
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0028 0.0022 0.0144
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase type II beta, putative 0.0028 0.0022 0.035
Brugia malayi ecdysone receptor 0.0248 0.0383 0.0383
Brugia malayi Nuclear hormone receptor-like 1 0.0278 0.0432 0.0432
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0022 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0527 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Echinococcus granulosus peptidase Clp S14 family 0.0329 0.0514 0.0502
Echinococcus granulosus ecdysone induced protein 78C 0.0527 0.0839 0.0827
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0501 0.0797 0.2448
Schistosoma mansoni RAR-like nuclear receptor 0.0527 0.0839 0.0866
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0329 0.0514 0.4744
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0013 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0527 0.0839 0.0839
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0501 0.0797 0.2448
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.0022 0.035
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1978 0.3218 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0324 0.0507 0.0507
Brugia malayi ecdysteroid receptor 0.0527 0.0839 0.0839
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0324 0.0507 0.0507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.6117 1 1
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0349 0.0547 0.0535
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Onchocerca volvulus 0.0248 0.0383 0.1545
Echinococcus granulosus serine:threonine protein kinase PLK1 0.039 0.0616 0.0603
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0278 0.0432 0.0419
Schistosoma mansoni hypothetical protein 0.0222 0.0339 0.0342
Brugia malayi N-terminal motif family protein 0.0198 0.0299 0.0299
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0103 0.0144 0.0131
Loa Loa (eye worm) hypothetical protein 0.0278 0.0432 0.0432
Onchocerca volvulus Serine\/threonine kinase homolog 0.039 0.0616 0.5861
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Brugia malayi Probable ClpP-like protease 0.0501 0.0797 0.0797
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.6117 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0248 0.0383 0.037
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha 0.0028 0.0022 0.035
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0527 0.0839 0.0839
Brugia malayi nuclear hormone receptor family member nhr-6 0.0248 0.0383 0.0383
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1978 0.3218 1
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Entamoeba histolytica fatty acid elongase, putative 0.0257 0.0397 0.6369
Echinococcus granulosus Nuclear hormone receptor HR96 0.0248 0.0383 0.037
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0292 0.4638
Loa Loa (eye worm) hypothetical protein 0.0222 0.0339 0.0339
Echinococcus granulosus GPCR family 2 0.0103 0.0144 0.0131
Leishmania major phosphatidylinositol (3,5) kinase, putative 0.0028 0.0022 0.035
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0292 0.4638
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1978 0.3218 1
Schistosoma mansoni nuclear hormone receptor 0.0527 0.0839 0.0866
Brugia malayi latrophilin 2 splice variant baaae 0.0222 0.0339 0.0339
Onchocerca volvulus 0.0527 0.0839 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0248 0.0383 0.0383
Giardia lamblia Kinase, PLK 0.039 0.0616 1
Onchocerca volvulus 0.0248 0.0383 0.1545
Brugia malayi Nuclear hormone receptor E75 0.0248 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0324 0.0507 0.0507
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0349 0.0547 0.0561
Entamoeba histolytica fatty acid elongase, putative 0.0257 0.0397 0.6369
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-kinase 0.0028 0.0022 0.011
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0527 0.0839 0.0827
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0034 0.0557
Entamoeba histolytica serine/threonine protein kinase, putative 0.039 0.0616 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0248 0.0383 0.037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0527 0.0839 0.0839
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0034 0.0273
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0028 0.0022 0.0009
Echinococcus granulosus nuclear receptor nhr 48 0.0248 0.0383 0.037
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0028 0.0022 0.0022
Schistosoma mansoni nuclear receptor nhr-48 0.0248 0.0383 0.0388
Loa Loa (eye worm) nuclear hormone receptor 0.0248 0.0383 0.0383
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0036 0.0034 0.0067
Schistosoma mansoni peptidase Clp (S14 family) 0.0501 0.0797 0.0823
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0103 0.0144 0.0131
Schistosoma mansoni hypothetical protein 0.0103 0.0144 0.0137
Giardia lamblia Phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.0144
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0527 0.0839 0.0866
Loa Loa (eye worm) DR-78 0.0248 0.0383 0.0383
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1978 0.3218 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0248 0.0383 0.037
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0349 0.0547 0.0561
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0329 0.0514 0.1565
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0527 0.0839 0.0827
Echinococcus granulosus Nuclear hormone receptor HR96 0.0248 0.0383 0.037
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0527 0.0839 0.0827
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.035
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0278 0.0432 0.0432
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0501 0.0797 0.2478
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0036 0.0034 0.0557
Entamoeba histolytica phosphoinositide kinase, putative 0.0028 0.0022 0.0144
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0028 0.0022 0.0022
Brugia malayi Isocitrate dehydrogenase 0.0036 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1978 0.3218 1
Trypanosoma cruzi phosphatidylinositol 4-phosphate 5-kinase alpha, putative 0.0028 0.0022 0.035
Loa Loa (eye worm) hypothetical protein 0.0198 0.0299 0.0299
Brugia malayi hypothetical protein 0.0278 0.0432 0.0432
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.0022 0.035
Trypanosoma cruzi polo-like protein kinase, putative 0.039 0.0616 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0527 0.0839 0.0827
Schistosoma mansoni kinase 0.0198 0.0301 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0527 0.0839 0.0839
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0034 0.0557
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0501 0.0797 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1978 0.3218 1
Schistosoma mansoni coup transcription factor 0.0527 0.0839 0.0866
Schistosoma mansoni steroid hormone receptor ad4bp 0.0527 0.0839 0.0866
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0036 0.0034 0.0021
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0036 0.0034 0.0067
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0013 0.0013
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0527 0.0839 0.0866
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Leishmania major phosphatidylinositol-4-phosphate-5-kinase-likep ro tein 0.0028 0.0022 0.035
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0501 0.0797 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0248 0.0383 0.1545
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0028 0.0022 0.011
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0036 0.0034 0.0557
Plasmodium vivax phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.0027
Schistosoma mansoni thyroid hormone receptor 0.0527 0.0839 0.0866
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0028 0.0022 0.011
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0248 0.0383 0.037
Trypanosoma brucei polo-like protein kinase 0.039 0.0616 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0527 0.0839 0.0827
Echinococcus multilocularis GPCR, family 2 0.0103 0.0144 0.0131
Schistosoma mansoni nuclear hormone receptor 0.0248 0.0383 0.0388
Brugia malayi nuclear receptor NHR-88 0.0527 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0527 0.0839 0.0866
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Brugia malayi nuclear hormone receptor 0.0527 0.0839 0.0839
Brugia malayi photoreceptor-specific nuclear receptor 0.0527 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Chlamydia trachomatis oxoacyl-ACP synthase III 0.1978 0.3218 1
Brugia malayi nuclear receptor NHR-88 0.0248 0.0383 0.0383
Brugia malayi Steroid receptor seven-up type 2 0.0527 0.0839 0.0839
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0278 0.0432 0.0419
Schistosoma mansoni thyroid hormone receptor 0.0527 0.0839 0.0866
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like protein 0.0028 0.0022 0.035
Loa Loa (eye worm) pip kinase 2 0.0349 0.0547 0.0547
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0173 0.0259 0.0767
Plasmodium falciparum phosphatidylinositol-4-phosphate 5-kinase 0.0028 0.0022 0.0027
Trypanosoma cruzi phosphatidylinositol (3,5) kinase, putative 0.0028 0.0022 0.035
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0248 0.0383 0.0388
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0028 0.0022 0.0009
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.039 0.0616 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0527 0.0839 0.0827
Schistosoma mansoni serine/threonine protein kinase 0.039 0.0616 0.0632
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0278 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0103 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0527 0.0839 0.0827
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type I 0.0028 0.0022 0.0009
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0501 0.0797 0.2448
Brugia malayi Nuclear hormone receptor-like 1 0.0527 0.0839 0.0839
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0501 0.0797 1
Loa Loa (eye worm) FYVE zinc finger family protein 0.0028 0.0022 0.0022
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0248 0.0383 0.037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0324 0.0507 0.0507
Brugia malayi conserved hypotetical protein 0.0248 0.0383 0.0383
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0028 0.0022 0.0009
Loa Loa (eye worm) hypothetical protein 0.0278 0.0432 0.0432
Echinococcus multilocularis isocitrate dehydrogenase 0.0036 0.0034 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0527 0.0839 0.0839
Echinococcus granulosus FTZ F1 alpha 0.0527 0.0839 0.0827
Brugia malayi Pip kinase protein 1 0.0028 0.0022 0.0022
Loa Loa (eye worm) pip kinase 1 0.0028 0.0022 0.0022
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0103 0.0144 0.0131
Brugia malayi hypothetical protein 0.0248 0.0383 0.0383
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0501 0.0797 0.0786
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0103 0.0144 0.0131
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0013 0.004
Brugia malayi hypothetical protein 0.0278 0.0432 0.0432
Schistosoma mansoni retinoic acid receptor RXR 0.0527 0.0839 0.0866
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.0022 0.035
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0034 0.0557
Loa Loa (eye worm) hypothetical protein 0.0349 0.0547 0.0547
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.6117 1 1
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0527 0.0839 0.0839
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.039 0.0616 0.0616
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0248 0.0383 0.0383
Loa Loa (eye worm) nuclear receptor NHR-67 0.0248 0.0383 0.0383
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0034 0.0021
Brugia malayi nuclear receptor RXR 0.0248 0.0383 0.0383
Onchocerca volvulus Bile acid receptor homolog 0.0527 0.0839 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0036 0.0034 0.0021
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.035
Loa Loa (eye worm) hypothetical protein 0.0501 0.0797 0.0797
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0278 0.0432 0.0439
Brugia malayi Nuclear hormone receptor E75 0.0248 0.0383 0.0383
Entamoeba histolytica fatty acid elongase, putative 0.0257 0.0397 0.6369
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0527 0.0839 0.0827
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.039 0.0616 0.0603
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0248 0.0383 0.037
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0527 0.0839 0.0839
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0028 0.0022 0.0009
Schistosoma mansoni hypothetical protein 0.0103 0.0144 0.0137
Toxoplasma gondii hypothetical protein 0.0173 0.0259 0.3134
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0248 0.0383 0.0383
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0036 0.0034 0.0022
Trypanosoma brucei phosphatidylinositol (3,5) kinase, putative 0.0028 0.0022 0.035
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0013 0.0209
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0527 0.0839 0.0839
Trichomonas vaginalis CAMK family protein kinase 0.039 0.0616 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0527 0.0839 0.0866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0527 0.0839 0.0839
Echinococcus multilocularis ecdysone induced protein 78C 0.0527 0.0839 0.0827
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0527 0.0839 1
Giardia lamblia Hypothetical protein 0.0028 0.0022 0.0144
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0501 0.0797 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0278 0.0432 0.0439
Schistosoma mansoni nuclear hormone receptor 0.0248 0.0383 0.0388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0527 0.0839 0.0839
Onchocerca volvulus Protein ultraspiracle homolog 0.0527 0.0839 1
Brugia malayi hypothetical protein 0.0248 0.0383 0.0383
Schistosoma mansoni phosphatidylinositol-4-phosphate-5-kinaseputativ e 0.0028 0.0022 0.0009
Entamoeba histolytica phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.0144
Brugia malayi nuclear receptor NHR-67 0.0248 0.0383 0.0383
Loa Loa (eye worm) latrophilin receptor protein 2 0.0103 0.0144 0.0144
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0013 0.0209
Loa Loa (eye worm) hypothetical protein 0.0248 0.0383 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0527 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0278 0.0432 0.0432
Echinococcus multilocularis FTZ F1 alpha 0.0527 0.0839 0.0827
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0527 0.0839 0.0839
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0028 0.0022 0.0009
Loa Loa (eye worm) hypothetical protein 0.0527 0.0839 0.0839
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0527 0.0839 0.0839
Onchocerca volvulus 0.0349 0.0547 0.4595
Schistosoma mansoni hypothetical protein 0.0103 0.0144 0.0137
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0349 0.0547 0.0535
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0013 0.0209
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0034 0.0021
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.0022 0.035
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0034 0.0021

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0000891 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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