TDR Targets

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+/m1/s1
InChiKey: SXVVUDYHWDEOJZ-MSOLQXFVSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sigma non-opioid intracellular receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

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

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

ChEMBL: CHEMBL607392

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1102855