Detailed information for compound 173042

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.436 | Formula: C19H27N3O3
  • H donors: 0 H acceptors: 3 LogP: 3.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N([C@@H]1CCCC[C@@H]1N1CCCC1)C)Cc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C19H27N3O3/c1-20(17-9-2-3-10-18(17)21-11-4-5-12-21)19(23)14-15-7-6-8-16(13-15)22(24)25/h6-8,13,17-18H,2-5,9-12,14H2,1H3/t17?,18-/m0/s1
  • InChiKey: SXVVUDYHWDEOJZ-ZVAWYAOSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0192 0.0252 0.0213
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0589 0.0957 0.0957
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.04 0.062 0.0583
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0378 0.0581 0.0544
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.012 0.0123 0.1445
Plasmodium vivax hypothetical protein, conserved 0.0378 0.0581 0.9329
Trichomonas vaginalis PIKK family atypical protein kinase 0.4526 0.7953 0.7945
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1094 0.1855 0.1845
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0378 0.0581 0.0544
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1094 0.1855 0.1831
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4531 0.7961 0.7953
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.012 0.0123 0.0095
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.04 0.062 0.0583
Echinococcus multilocularis pyruvate kinase 0.0072 0.0039 0.0027
Schistosoma mansoni hypothetical protein 0.0378 0.0581 0.0544
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.0554
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.012 0.0123 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5678 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.07 0.0664
Loa Loa (eye worm) hypothetical protein 0.0445 0.07 0.07
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1991 0.3449 0.343
Trichomonas vaginalis PIKK family atypical protein kinase 0.3394 0.5941 0.5926
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0378 0.0581 0.9329
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0378 0.0581 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.5678 1 1
Echinococcus multilocularis pyruvate kinase 0.0072 0.0039 0.0027
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.0166 0.0127
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.012 0.0123 0.0084
Loa Loa (eye worm) pyruvate kinase 0.0072 0.0039 0.0039
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0521 0.0836 0.08
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.012 0.0123 0.0084
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1991 0.3449 0.343
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1991 0.3449 0.3441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0166 0.0127
Loa Loa (eye worm) hypothetical protein 0.0512 0.0821 0.0821
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.012 0.0123 0.0084
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.04 0.062 0.0583
Trichomonas vaginalis PIKK family atypical protein kinase 0.4526 0.7953 0.7945
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.04 0.062 0.0583
Trichomonas vaginalis PIKK family atypical protein kinase 0.1935 0.3349 0.3323
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.012 0.0123 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.1935 0.3349 0.3323
Trichomonas vaginalis PIKK family atypical protein kinase 0.3685 0.6458 0.6444
Trypanosoma cruzi pyruvate kinase 2, putative 0.0072 0.0039 0.0011
Echinococcus multilocularis 0.0378 0.0581 0.057
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.04 0.062 0.0583
Leishmania major phosphatidylinositol kinase, putative 0.0378 0.0581 0.0544
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0166 0.0127
Giardia lamblia Hypothetical protein 0.0378 0.0581 0.0544
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.04 0.062 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0153 0.0114
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5678 1 1
Schistosoma mansoni immunophilin 0.012 0.0123 0.0084
Loa Loa (eye worm) phosphatidylinositol 3 0.5678 1 1
Echinococcus multilocularis tar DNA binding protein 0.0136 0.0153 0.0141
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.07 0.0664
Trichomonas vaginalis PIKK family atypical protein kinase 0.1947 0.337 0.3344
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0512 0.0821 0.0785
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0153 0.0114
Brugia malayi RNA binding protein 0.0136 0.0153 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.4526 0.7953 0.7945
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2677 0.4668 0.4647
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.04 0.062 0.0583
Leishmania major fk506-binding protein 1-like protein 0.012 0.0123 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.3088 0.5397 0.5379
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0444 0.0699 0.0663
Trichomonas vaginalis immunophilin, putative 0.012 0.0123 0.0084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0378 0.0581 0.0544
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1094 0.1855 0.1823
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.012 0.0123 0.0123
Loa Loa (eye worm) phosphatidylinositol 3 0.1947 0.337 0.337
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5678 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0378 0.0581 0.057
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.07 0.0664
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.04 0.062 0.062
Entamoeba histolytica protein kinase rad3, putative 0.1094 0.1855 0.1855
Plasmodium falciparum phosphatidylinositol 3-kinase 0.04 0.062 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0378 0.0581 0.0581
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0422 0.066 0.0624
Trichomonas vaginalis conserved hypothetical protein 0.0717 0.1184 0.1149
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1094 0.1855 0.1823
Loa Loa (eye worm) RNA binding protein 0.0136 0.0153 0.0153
Leishmania major hypothetical protein, conserved 0.0479 0.0761 0.0725
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.0322 0.0322
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0512 0.0821 0.081
Entamoeba histolytica hypothetical protein 0.1094 0.1855 0.1855
Trichomonas vaginalis PIKK family atypical protein kinase 0.3088 0.5397 0.5379
Trichomonas vaginalis PIKK family atypical protein kinase 0.4526 0.7953 0.7945
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0378 0.0581 0.0733
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.0028 0.0028
Echinococcus granulosus snurportin 1 0.0369 0.0565 0.0528
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0378 0.0581 0.0554
Loa Loa (eye worm) phosphatidylinositol kinase 0.0378 0.0581 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.3083 0.5388 0.537
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1947 0.337 0.3344
Loa Loa (eye worm) hypothetical protein 0.1094 0.1855 0.1855
Loa Loa (eye worm) TAR-binding protein 0.0136 0.0153 0.0153
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.04 0.062 0.0583
Loa Loa (eye worm) hypothetical protein 0.0841 0.1405 0.1405
Trichomonas vaginalis PIKK family atypical protein kinase 0.1106 0.1876 0.1844
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0521 0.0836 0.08
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.016 0.0194 0.0156
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0103 0.0094 0.0055
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.016 0.0194 0.0194
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.012 0.0123 0.0084
Onchocerca volvulus 0.0378 0.0581 1
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.0153 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.04 0.062 0.0786
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.0554
Brugia malayi RNA, U transporter 1 0.0098 0.0085 0.0046
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.04 0.062 0.0583
Echinococcus multilocularis Zinc finger, PHD finger 0.04 0.062 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.9329
Giardia lamblia Phosphatidylinositol 4-kinase 0.0378 0.0581 0.0544
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.012 0.0123 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Loa Loa (eye worm) hypothetical protein 0.1219 0.2075 0.2075
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5678 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0149 0.0175 0.0137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0166 0.0127
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0378 0.0581 0.0554
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0589 0.0957 0.0922
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0153 0.0114
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0378 0.0581 0.0544
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.012 0.0123 0.0084
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0589 0.0957 0.0931
Giardia lamblia GTOR 0.5678 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0174 0.022 0.0182
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1106 0.1876 0.1876
Leishmania major phosphatidylinositol kinase related protein, putative 0.0378 0.0581 0.0544
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0589 0.0957 0.0922
Loa Loa (eye worm) phosphatidylinositol 3 0.0378 0.0581 0.0581
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0841 0.1405 0.1394
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0378 0.0581 0.9329
Trichomonas vaginalis conserved hypothetical protein 0.1219 0.2075 0.2044
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.012 0.0123 0.0084
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0369 0.0565 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.3809 0.6679 0.6666
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Entamoeba histolytica hypothetical protein 0.0378 0.0581 0.0581
Schistosoma mansoni hypothetical protein 0.0841 0.1405 0.1371
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0378 0.0581 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.5678 1 1
Entamoeba histolytica hypothetical protein 0.0378 0.0581 0.0581
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0166 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Trichomonas vaginalis PIKK family atypical protein kinase 0.3088 0.5397 0.5379
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0663 0.1088 0.1053
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1094 0.1855 0.1823
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.0544
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0166 0.0154
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.012 0.0123 0.0084
Brugia malayi TAR-binding protein 0.0136 0.0153 0.0114
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0589 0.0957 0.0922
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.07 0.0674
Leishmania major hypothetical protein, unknown function 0.0378 0.0581 0.0544
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0589 0.0957 0.0931
Loa Loa (eye worm) pyruvate kinase 0.0072 0.0039 0.0039
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.04 0.062 0.0593
Brugia malayi FAT domain containing protein 0.0841 0.1405 0.1371
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0841 0.1405 0.1371
Trichomonas vaginalis PIKK family atypical protein kinase 0.3394 0.5941 0.5926
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.016 0.0194 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0717 0.1184 0.1149
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0545 0.0878 0.0878
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0378 0.0581 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.3083 0.5388 0.537
Schistosoma mansoni voltage-gated potassium channel 0.0174 0.022 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.0581 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.3378 0.5913 0.5897
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0444 0.0699 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.1855 0.1823
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0153 0.0114
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1935 0.3349 0.3323
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1991 0.3449 0.3423
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0149 0.0175 0.0137
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1219 0.2075 0.2753
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.012 0.0123 0.0084
Onchocerca volvulus 0.0378 0.0581 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0378 0.0581 0.0733
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0476 0.0757 0.072
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.012 0.0123 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0153 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0166 0.0154
Loa Loa (eye worm) pyruvate kinase 0.0072 0.0039 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0841 0.1405 0.1371
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0378 0.0581 0.057
Loa Loa (eye worm) FKBP5 protein 0.012 0.0123 0.0123
Toxoplasma gondii FATC domain-containing protein 0.1094 0.1855 0.2455
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1991 0.3449 0.3423
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.9329
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1094 0.1855 0.1823
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.0166 0.0166
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5678 1 1
Entamoeba histolytica hypothetical protein 0.0545 0.0878 0.0878
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0103 0.0094 0.0082
Leishmania major phosphatidylinositol 4-kinase, putative 0.0378 0.0581 0.0544
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0781 0.1299 0.1265
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0717 0.1184 0.1159
Loa Loa (eye worm) hypothetical protein 0.1148 0.1949 0.1949
Echinococcus granulosus tar DNA binding protein 0.0136 0.0153 0.0114
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.0322 0.0322
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.012 0.0123 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.3378 0.5913 0.5897
Trichomonas vaginalis PIKK family atypical protein kinase 0.1525 0.262 0.2591
Schistosoma mansoni immunophilin 0.0103 0.0094 0.0055
Loa Loa (eye worm) hypothetical protein 0.0072 0.0039 0.0039
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0444 0.0699 0.0673
Loa Loa (eye worm) hypothetical protein 0.0103 0.0094 0.0094
Echinococcus granulosus serine protein kinase ATM 0.1094 0.1855 0.1823
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.012 0.0123 0.0095
Loa Loa (eye worm) phosphatidylinositol 3 0.0378 0.0581 0.0581
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0589 0.0957 0.0922
Schistosoma mansoni phosphatidylinositol 4-kinase 0.04 0.062 0.0583
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.04 0.062 0.0593
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.04 0.062 0.062
Echinococcus granulosus potassium voltage gated channel subfamily H 0.016 0.0194 0.0156
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0378 0.0581 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.4837 0.8506 0.85
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0444 0.0699 0.0663
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1947 0.337 0.3344
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5678 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0444 0.0699 0.0663
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0378 0.0581 0.9329
Trichomonas vaginalis PIKK family atypical protein kinase 0.4526 0.7953 0.7945
Leishmania major phosphatidylinositol 3-kinase, putative 0.04 0.062 0.0583
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0956 0.1608 0.1599
Loa Loa (eye worm) hypothetical protein 0.0717 0.1184 0.1184
Trichomonas vaginalis PIKK family atypical protein kinase 0.4235 0.7436 0.7426
Trichomonas vaginalis PIKK family atypical protein kinase 0.3088 0.5397 0.5379
Echinococcus multilocularis serine protein kinase ATM 0.1094 0.1855 0.1845
Schistosoma mansoni hypothetical protein 0.0369 0.0565 0.0528
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.012 0.0123 0.0111
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.04 0.062 0.062
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0663 0.1088 0.1077
Entamoeba histolytica hypothetical protein 0.0378 0.0581 0.0581
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0378 0.0581 0.0733
Brugia malayi MH2 domain containing protein 0.0232 0.0322 0.0284
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0.009 0.0062
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.012 0.0123 0.0084
Loa Loa (eye worm) phosphatidylinositol 3 0.0737 0.1219 0.1219
Mycobacterium tuberculosis Conserved hypothetical protein 0.0378 0.0581 1
Trichomonas vaginalis fk506-binding protein, putative 0.012 0.0123 0.0084
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5678 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0378 0.0581 0.0544
Schistosoma mansoni fkbp-rapamycin associated protein 0.1094 0.1855 0.1823
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0378 0.0581 0.0544
Leishmania major phosphatidylinositol 3-kinase, putative 0.1935 0.3349 0.3323
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0378 0.0581 0.0544
Echinococcus multilocularis fk506 binding protein 0.012 0.0123 0.0111
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.04 0.062 0.0583
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5678 1 1
Schistosoma mansoni immunophilin 0.012 0.0123 0.0084
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0444 0.0699 0.0699
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.012 0.0123 0.0095
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.04 0.062 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.1935 0.3349 0.3323
Loa Loa (eye worm) phosphatidylinositol 3 0.0378 0.0581 0.0581
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2371 0.4123 0.41
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.0581 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0166 0.0127
Trypanosoma cruzi pyruvate kinase 2, putative 0.0072 0.0039 0.0011
Chlamydia trachomatis pyruvate kinase 0.0072 0.0039 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0444 0.0699 0.0663
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5678 1 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0077 0.0047 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.1935 0.3349 0.3323
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0781 0.1299 0.1265
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0444 0.0699 0.0699
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1991 0.3449 0.3423
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1094 0.1855 0.1823
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0444 0.0699 0.0663
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0378 0.0581 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.5678 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3083 0.5388 0.537
Mycobacterium leprae conserved hypothetical protein 0.0378 0.0581 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3394 0.5941 0.5926
Trypanosoma cruzi target of rapamycin kinase 3 0.4531 0.7961 0.7955
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0227 0.0314 0.0314
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.1855 0.1823
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0378 0.0581 0.0544
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0781 0.1299 0.1288
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.012 0.0123 0.1445
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5678 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0512 0.0821 0.0785
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.04 0.062 0.0786
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0468 0.0741 0.0741
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.012 0.0123 0.0084
Loa Loa (eye worm) hypothetical protein 0.0378 0.0581 0.0581
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5678 1 1
Echinococcus multilocularis snurportin 1 0.0369 0.0565 0.0554
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1094 0.1855 0.1831
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.012 0.0123 0.0095
Leishmania major peptidylprolyl isomerase-like protein 0.012 0.0123 0.0084
Plasmodium vivax hypothetical protein 0.0378 0.0581 0.9329
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4531 0.7961 0.7953
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0212 0.0286 0.0286
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0378 0.0581 0.0544
Toxoplasma gondii target of rapamycin (TOR), putative 0.4235 0.7436 1

Activities

Activity type Activity value Assay description Source Reference
Control (binding) = 28.01 % Binding affinity against opioid receptor kappa 1 using [3H]U-69,593 as a radioligand ChEMBL. 2172538
Control (binding) = 101.75 % Binding affinity against opioid receptor kappa 1 using with [3H]-bremazocine as radioligand ChEMBL. 2172538
IC50 (binding) = 1609 nM Binding affinity for sigma opioid receptor using [3H]-(+)-3-PPP as radioligand ChEMBL. 2172538

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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