Detailed information for compound 1354673

Basic information

Technical information
  • TDR Targets ID: 1354673
  • Name: [4-(3-morpholin-4-yl-4-nitrophenyl)piperazin- 1-yl]-naphthalen-1-ylmethanone
  • MW: 446.498 | Formula: C25H26N4O4
  • H donors: 0 H acceptors: 3 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc2c1cccc2)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
  • InChi: 1S/C25H26N4O4/c30-25(22-7-3-5-19-4-1-2-6-21(19)22)28-12-10-26(11-13-28)20-8-9-23(29(31)32)24(18-20)27-14-16-33-17-15-27/h1-9,18H,10-17H2
  • InChiKey: QMXDAZRWPPSKLW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]-(1-naphthyl)methanone
  • [4-(3-morpholino-4-nitrophenyl)-1-piperazinyl]-(1-naphthyl)methanone
  • [4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]-naphthalen-1-yl-methanone
  • MLS000578280
  • SMR000197689
  • STK148982
  • 4-{5-[4-(1-naphthoyl)-1-piperazinyl]-2-nitrophenyl}morpholine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative 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 karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, 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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni importin beta-1 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Ran, Ras family GTP-binding protein 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
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva GTP-binding nuclear protein ran, putative 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Ran family GTPase 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
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni peroxidasin 0.0027 0.0067 0.0017
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0148 0.014
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6608 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6608 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0899 0.7138 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0134 0.0467
Plasmodium falciparum phd finger protein, putative 0.0035 0.0134 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0134 0.0119
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus multilocularis peregrin 0.0035 0.0134 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Echinococcus multilocularis snurportin 1 0.0372 0.2863 0.4285
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0783 0.111
Brugia malayi hypothetical protein 0.0027 0.0067 0.0493
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0194 0.021
Brugia malayi Blistered cuticle protein 3 0.0027 0.0067 0.0493
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Echinococcus multilocularis geminin 0.0205 0.1508 0.2216
Loa Loa (eye worm) hypothetical protein 0.006 0.0338 0.118
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0899 0.7138 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0186 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1311 0.458
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0075 0.9137
Echinococcus multilocularis muscleblind protein 1 0.018 0.1311 0.1916
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0134 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Trichomonas vaginalis MYB3r3, putative 0.0028 0.0074 0.8626
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0028 0.0075 0.0073
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0469 0.3444
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0783 0.111
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0443 0.0591
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0148 0.014
Trichomonas vaginalis MYB72, putative 0.0028 0.0074 0.8626
Brugia malayi Bromodomain containing protein 0.0035 0.0134 0.0983
Schistosoma mansoni serine/threonine protein kinase 0.0186 0.1361 0.1991
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0443 0.0591
Onchocerca volvulus Huntingtin homolog 0.0148 0.1048 0.7584
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0134 0.0119
Giardia lamblia Myb 1-like protein 0.0028 0.0075 0.2482
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0056 0.0412
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0469 0.1637
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Echinococcus granulosus muscleblind protein 0.018 0.1311 0.1916
Echinococcus granulosus peregrin 0.0035 0.0134 0.0119
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0353 0.271 0.271
Loa Loa (eye worm) hypothetical protein 0.0152 0.1082 0.3777
Echinococcus multilocularis muscleblind protein 0.018 0.1311 0.1916
Brugia malayi PHD-finger family protein 0.0035 0.0134 0.0983
Brugia malayi RNA, U transporter 1 0.0099 0.0651 0.4787
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0365 0.2686
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Brugia malayi Importin beta-1 subunit 0.0035 0.0131 0.096
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0443 0.0591
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 0.5
Echinococcus granulosus snurportin 1 0.0372 0.2863 0.4285
Echinococcus multilocularis tumor protein p63 0.0408 0.3158 0.4735
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0134 0.0293
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0186 0.1361 0.1991
Brugia malayi hypothetical protein 0.0152 0.1082 0.7949
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0131 0.3574
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0067 0.0234
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0134 0.0467
Entamoeba histolytica hypothetical protein 0.0028 0.0077 0.0684
Brugia malayi hypothetical protein 0.0148 0.1048 0.7703
Loa Loa (eye worm) hypothetical protein 0.0035 0.0131 0.0456
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0365 0.0472
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) RNA binding protein 0.0076 0.0469 0.1637
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0365 0.0472
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0077 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0077 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0194 0.021
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0194 0.021
Loa Loa (eye worm) hypothetical protein 0.0148 0.1048 0.3661
Brugia malayi jmjC domain containing protein 0.0043 0.0194 0.1424
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.0074 0.8626
Brugia malayi jmjC domain containing protein 0.0115 0.0783 0.5758
Schistosoma mansoni importin beta-1 0.0035 0.0131 0.0114
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0365 0.0472
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0469 0.1637
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0131 0.0281
Giardia lamblia PHD finger protein 15 0.0035 0.0134 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Brugia malayi Cytochrome P450 family protein 0.0029 0.0081 0.0594
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Brugia malayi TAR-binding protein 0.0076 0.0469 0.3444
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0134 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0075 0.9137
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0353 0.271 1
Brugia malayi RNA binding protein 0.0076 0.0469 0.3444
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Echinococcus multilocularis peroxidasin 0.0027 0.0067 0.0017
Onchocerca volvulus 0.006 0.0333 0.2053
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0246 0.0289
Onchocerca volvulus 0.0152 0.1082 0.7842
Loa Loa (eye worm) hypothetical protein 0.006 0.0333 0.1162
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0194 0.021
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0131 0.0114
Echinococcus granulosus tar DNA binding protein 0.0076 0.0469 0.063
Echinococcus granulosus peroxidasin 0.0027 0.0067 0.0017
Schistosoma mansoni hypothetical protein 0.0372 0.2863 0.4285
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2216
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1018 0.3554
Schistosoma mansoni peroxidasin 0.0027 0.0067 0.0017
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0186 0.1361 0.4752
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0443 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0438 0.1529
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Onchocerca volvulus Alhambra homolog 0.0035 0.0134 0.0516
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Brugia malayi Protein kinase domain containing protein 0.0186 0.1361 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0131 0.0114
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0333 0.0422
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0194 0.0677
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6608 1
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2216
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0365 0.8251
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Brugia malayi Muscleblind-like protein 0.018 0.1311 0.9637
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0365 0.1276
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis MYB, putative 0.0028 0.0075 0.9137
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Brugia malayi Peroxidasin 0.0027 0.0067 0.0493
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2863 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0077 0.2112
Plasmodium vivax importin-beta 2, putative 0.0035 0.0131 0.9597
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0077 1
Trichomonas vaginalis C-MYB, putative 0.0028 0.0074 0.8626
Onchocerca volvulus Huntingtin homolog 0.0148 0.1048 0.7584
Leishmania major GTP-binding protein, putative 0.0026 0.0056 0.1265
Leishmania major importin beta-1 subunit, putative 0.0028 0.0077 0.1742
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0443 0.0591
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0186 0.1361 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0591 0.0817
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0443 0.1458
Trichomonas vaginalis C-MYB, putative 0.0028 0.0074 0.8626
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1018 0.3554
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0081 0.0282
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0056 0.0196
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0365 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0186 0.1361 0.4752
Loa Loa (eye worm) hypothetical protein 0.018 0.1311 0.458
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0186 0.1361 0.1991
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0131 0.3574
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0134 0.0293
Brugia malayi MH2 domain containing protein 0.0144 0.1018 0.7478
Plasmodium falciparum importin beta, putative 0.0035 0.0131 0.9597
Loa Loa (eye worm) hypothetical protein 0.0148 0.1048 0.3661
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Schistosoma mansoni hypothetical protein 0.0035 0.0134 0.0119
Echinococcus granulosus geminin 0.0205 0.1508 0.2216
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0469 0.063
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0246 0.0289
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus granulosus tumor protein p63 0.0408 0.3158 0.4735

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 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) 8.2753 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) = 10 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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