TDR Targets

Basic information

Technical information

TDR Targets ID: 1442130
Name: 2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-o xo-1,3-benzoxazol-3-yl]-N-methyl-N-(phenylmet hyl)acetamide
MW: 471.569 | Formula: C24H29N3O5S
H donors: 0 H acceptors: 4 LogP: 3.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(Cc1ccccc1)C
InChi: 1S/C24H29N3O5S/c1-17-11-18(2)14-26(13-17)33(30,31)20-9-10-21-22(12-20)32-24(29)27(21)16-23(28)25(3)15-19-7-5-4-6-8-19/h4-10,12,17-18H,11,13-16H2,1-3H3
InChiKey: VXWALBCULRZUER-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-[6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-(phenylmethyl)acetamide
2-[6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-(phenylmethyl)acetamide
N-(benzyl)-2-[6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-keto-1,3-benzoxazol-3-yl]-N-methyl-acetamide
2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-(phenylmethyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA recognition motif domain containing 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
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	TAR-binding 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
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	tar DNA-binding 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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	tar DNA 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
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	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
Schistosoma mansoni	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
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0103	0.0103
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0059	0.0543	0.0543
Trypanosoma cruzi	target of rapamycin kinase 3	0.0722	0.794	0.7908
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0059	0.0543	0.0543
Loa Loa (eye worm)	phosphatidylinositol 3	0.0059	0.0543	0.0543
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0172	0.1803	0.1676
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0059	0.0543	0.0543
Schistosoma mansoni	cytochrome P450	0.0023	0.0152	0.0152
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0907	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.2379
Schistosoma mansoni	hypothetical protein	0.0019	0.0103	0.0103
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0021	0.0021
Trypanosoma brucei	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Toxoplasma gondii	peptidyl-prolyl isomerase FKBP12, putative	0.0024	0.0152	0.0000090781
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0059	0.0543	0.0543
Echinococcus multilocularis		0.0059	0.0543	0.0543
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0171	0.1794	0.1794
Schistosoma mansoni	hypothetical protein	0.0019	0.0103	0.0103
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0743	0.0743
Schistosoma mansoni	immunophilin	0.0147	0.1532	0.1532
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0907	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0312	0.0162
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0172	0.1803	0.1803
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.1794	0.1667
Schistosoma mansoni	hypothetical protein	0.0019	0.0103	0.0103
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0059	0.0543	0.0396
Echinococcus granulosus	GPCR family 2	0.0019	0.0103	0.0103
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0059	0.0543	0.0543
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0059	0.0543	0.0396
Schistosoma mansoni	fk506 binding protein	0.0024	0.0152	0.0152
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0722	0.794	0.7908
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.5931	0.5868
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0561	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0489	0.5341	0.5269
Mycobacterium tuberculosis	Probable trigger factor (TF) protein Tig	0.0024	0.0152	0.0002
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0024	0.0152	0.0000090781
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0024	0.0152	0.0000090781
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0113	0.115	0.1013
Onchocerca volvulus		0.0059	0.0543	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0907	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0113	0.115	0.1013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0304	0.3281	0.3177
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0172	0.1803	0.1676
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0171	0.1794	0.1794
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0024	0.0152	0.0152
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0907	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0304	0.3281	0.3177
Schistosoma mansoni	cpg binding protein	0.0035	0.0277	0.0277
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.115	0.1013
Echinococcus multilocularis		0.0023	0.0152	0.0152
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0059	0.0543	0.0396
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0059	0.0543	0.0543
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0024	0.0152	0.0152
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0377	0.4089	0.3998
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0059	0.0543	0.0396
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0082	0.0801	0.395
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0304	0.3281	0.3177
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.1369	0.1235
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0907	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0349	0.0349
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0059	0.0543	0.0543
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0743	0.0743
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0304	0.3281	0.3177
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0024	0.0152	0.5
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Loa Loa (eye worm)	phosphatidylinositol 3	0.0059	0.0543	0.0543
Loa Loa (eye worm)	phosphatidylinositol 3	0.0059	0.0543	0.0543
Entamoeba histolytica	hypothetical protein	0.0172	0.1803	0.1676
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0907	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0561	0.0561
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.004	0.0342	0.0342
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0383	0.0383
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0171	0.1794	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0021
Echinococcus granulosus	cytochrome P450 2K1	0.0023	0.0152	0.0152
Schistosoma mansoni	cpg binding protein	0.0037	0.0299	0.0299
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0171	0.1794	0.1667
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0103	0.0103
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0059	0.0543	0.0538
Echinococcus multilocularis	Zinc finger, PHD finger	0.0059	0.0543	0.0543
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0024	0.0152	0.5
Brugia malayi	TAR-binding protein	0.0076	0.0743	0.0743
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0349	0.0349
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0024	0.0152	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.1803	0.1676
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0171	0.1794	0.1794
Trichomonas vaginalis	PIKK family atypical protein kinase	0.049	0.5349	0.5277
Schistosoma mansoni	hypothetical protein	0.0019	0.0103	0.0103
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0103	0.0103
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0743	0.0743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0722	0.7932	0.7899
Leishmania major	peptidylprolyl isomerase-like protein	0.0171	0.1794	0.1667
Loa Loa (eye worm)	cytochrome P450 family protein	0.0082	0.0801	0.0801
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0907	1	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.115	0.115
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0304	0.3281	0.3281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0775	0.8522	0.8499
Brugia malayi	RNA binding protein	0.0076	0.0743	0.0743
Brugia malayi	Cytochrome P450 family protein	0.0082	0.0801	0.0801
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0021	0.0021
Plasmodium vivax	hypothetical protein	0.0059	0.0543	0.2379
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0059	0.0543	0.0396
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0743	0.0743
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0171	0.1794	0.1667
Leishmania major	peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative	0.0024	0.0152	0.00000669
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0059	0.0543	0.0396
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0024	0.0152	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.1803	0.1676
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.004	0.0342	0.0342
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0312	0.0162
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0009	0.0009
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0133	0.1369	0.1369
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0277	0.0277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.2603	0.2488
Schistosoma mansoni	cpg binding protein	0.0037	0.0299	0.0299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0537	0.5871	0.5807
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0059	0.0543	0.0543
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1951	0.1951
Trichomonas vaginalis	fk506-binding protein, putative	0.0171	0.1794	0.1667
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.1794	0.1667
Echinococcus multilocularis	cpg binding protein	0.0037	0.0299	0.0299
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.2379
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0171	0.1794	0.1667
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0907	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0172	0.1803	0.1676
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0304	0.3281	0.3177
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0059	0.0543	0.0543
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0172	0.1803	0.1803
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0024	0.0152	0.0152
Mycobacterium leprae	conserved hypothetical protein	0.0059	0.0543	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.004	0.0342	0.0342
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0171	0.1794	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0282	0.0282
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0059	0.0543	0.0396
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0059	0.0543	0.0396
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0623	0.0648
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0059	0.0543	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1532	0.1532
Trypanosoma brucei	macrophage infectivity potentiator, precursor, putative	0.0024	0.0152	0.00000669
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0021	0.0021
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0059	0.0543	0.0396
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0191	0.2021	0.2575
Loa Loa (eye worm)	phosphatidylinositol 3	0.0304	0.3281	0.3281
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0304	0.3281	0.3177
Entamoeba histolytica	protein kinase rad3, putative	0.0172	0.1803	0.1676
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0059	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1369	0.1369
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0059	0.0543	0.2379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0537	0.5871	0.5807
Giardia lamblia	Hypothetical protein	0.0059	0.0543	0.0396
Plasmodium vivax	hypothetical protein, conserved	0.0059	0.0543	0.2379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0489	0.5341	0.5269
Leishmania major	hypothetical protein, conserved	0.0059	0.0543	0.0396
Schistosoma mansoni	immunophilin	0.0171	0.1794	0.1794
Echinococcus multilocularis	fk506 binding protein	0.0171	0.1794	0.1794
Schistosoma mansoni	immunophilin	0.0171	0.1794	0.1794
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.5931	0.5868
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0171	0.1794	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0743	0.0743
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0277	0.0277
Loa Loa (eye worm)	cytochrome P450	0.0023	0.0152	0.0152
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0171	0.1794	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.0543	0.0396
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0059	0.0543	0.0396
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0171	0.1794	0.1667
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1497	0.1497
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0059	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1803	0.1803
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0171	0.1794	0.1794
Trichomonas vaginalis	PIKK family atypical protein kinase	0.049	0.5349	0.5277
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0152	0.0152
Giardia lamblia	GTOR	0.0907	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0059	0.0543	0.0543
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0059	0.0543	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0152	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0059	0.0543	0.0543
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.1794	0.1667
Loa Loa (eye worm)	phosphatidylinositol 3	0.0059	0.0543	0.0543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0608	0.6672	0.662
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0103	0.0103
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	conserved hypothetical protein	0.0191	0.2021	0.1898
Mycobacterium leprae	PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG	0.0024	0.0152	0.0002
Schistosoma mansoni	hypothetical protein	0.0041	0.0349	0.0349
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0171	0.1794	0.1794
Onchocerca volvulus		0.0059	0.0543	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Loa Loa (eye worm)	FKBP5 protein	0.0171	0.1794	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0543	0.0543
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0172	0.1803	0.1803
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0103	0.0103
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0059	0.0543	0.0543
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0021	0.0021
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0907	1	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.001	0.001
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0059	0.0543	0.0396
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.1794	0.1667
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0059	0.0543	0.0543
Echinococcus multilocularis		0.0024	0.0152	0.0152
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0171	0.1794	0.1667
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0059	0.0543	0.0396
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0059	0.0543	0.0543
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Loa Loa (eye worm)	phosphatidylinositol 3	0.0907	1	1
Loa Loa (eye worm)	hypothetical protein	0.0191	0.2021	0.2021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0059	0.0543	0.0543
Leishmania major	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Entamoeba histolytica	hypothetical protein	0.0059	0.0543	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Onchocerca volvulus		0.0035	0.0277	0.3192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.0543	0.0396
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0152	0.0152
Trypanosoma cruzi	cytochrome P450, putative	0.0082	0.0801	0.0658
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0743	0.0743
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.071	0.071
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0675	0.7409	1
Leishmania major	hypothetical protein, unknown function	0.0059	0.0543	0.0396
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0561	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0539	0.0539
Echinococcus granulosus	cpg binding protein	0.0037	0.0299	0.0299
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0152	0.0152
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.001	0.001
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.1794	0.1667
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.001	0.001
Trichomonas vaginalis	immunophilin, putative	0.0171	0.1794	0.1667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.1803	0.1676
Schistosoma mansoni	hypothetical protein	0.0024	0.0152	0.0152
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0743	0.0743
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0059	0.0543	0.0538
Echinococcus granulosus	FK506 binding protein 2	0.0024	0.0152	0.0152
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0304	0.3281	0.3281
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0024	0.0152	0.0000090781
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0172	0.1803	0.1676
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0059	0.0543	0.0543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0489	0.5341	0.5269
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0152	0.00000669
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0722	0.7932	0.7899
Trichomonas vaginalis	PIKK family atypical protein kinase	0.049	0.5349	0.5277
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0059	0.0543	0.0396
Trypanosoma cruzi	macrophage infectivity potentiator, precursor, putative	0.0024	0.0152	0.00000669
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.2379
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0172	0.1803	0.1803
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0059	0.0543	0.0543
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.1794	0.1667
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0147	0.1532	0.1532
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0172	0.1803	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.7409	0.7369
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0171	0.1794	0.1794
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0024	0.0152	0.0152
Brugia malayi	cytochrome P450	0.0023	0.0152	0.0152
Leishmania major	cytochrome p450-like protein	0.0082	0.0801	0.0658
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0059	0.0543	0.0543
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0172	0.1803	0.1803
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0743	0.0743
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0103	0.0103
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0907	1	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0133	0.1369	0.1369
Loa Loa (eye worm)	hypothetical protein	0.006	0.0561	0.0561
Brugia malayi	Cytochrome P450 family protein	0.0082	0.0801	0.0801
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0059	0.0543	0.0396
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0304	0.3281	0.3281
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.004	0.0342	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0543	0.0543
Echinococcus granulosus	serine protein kinase ATM	0.0172	0.1803	0.1803
Brugia malayi	FAT domain containing protein	0.0133	0.1369	0.1369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.049	0.5349	0.5277
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0021	0.0021
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0059	0.0543	0.2379
Trypanosoma brucei	cytochrome P450, putative	0.0082	0.0801	0.0658
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0429	0.4671	0.4589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0722	0.7932	0.7899
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0059	0.0543	0.0396
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0171	0.1794	0.1794
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0059	0.0543	0.0543
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0304	0.3281	0.3177
Brugia malayi	MH2 domain containing protein	0.0144	0.1497	0.1497
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0907	1	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0103	0.0103
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0907	1	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0059	0.0543	0.0543
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0743	0.0743
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0059	0.0543	0.0396
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0589	0.6453	0.6398
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0059	0.0543	0.0538
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0543	0.0543
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0743	0.0743
Entamoeba histolytica	hypothetical protein	0.0059	0.0543	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0304	0.3281	0.3177
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0024	0.0152	0.0152
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0059	0.0543	0.0543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0304	0.3281	0.3177
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0722	0.794	0.7908
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0743	0.0743
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0059	0.0543	0.0396
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0147	0.1532	0.1532
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0304	0.3281	0.3177
Trypanosoma cruzi	cytochrome P450, putative	0.0082	0.0801	0.0658
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0304	0.3281	0.3281
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0059	0.0543	0.0396
Leishmania major	fk506-binding protein 1-like protein	0.0171	0.1794	0.1667
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0024	0.0152	0.0152
Entamoeba histolytica	hypothetical protein	0.0059	0.0543	0.0396
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0024	0.0152	0.0152
Entamoeba histolytica	hypothetical protein	0.0059	0.0543	0.0396
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0907	1	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0059	0.0543	0.2379
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0059	0.0543	0.0538
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0304	0.3281	0.3177
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0103	0.0103
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.5931	0.5868
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1497	0.1497
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0907	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0133	0.1369	0.1369
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0021	0.0021
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0059	0.0543	0.0396
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0059	0.0543	0.0396
Leishmania major	FKBP-type peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0152	0.00000669
Loa Loa (eye worm)	CYP4Cod1	0.0082	0.0801	0.0801
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0059	0.0543	0.2379
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0103	0.0103
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0722	0.7932	0.7899
Schistosoma mansoni	hypothetical protein	0.0023	0.0152	0.0152
Toxoplasma gondii	FATC domain-containing protein	0.0172	0.1803	0.2274
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0059	0.0543	0.0396
Echinococcus multilocularis	serine protein kinase ATM	0.0172	0.1803	0.1803
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0059	0.0543	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0722	0.7932	0.7899
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0059	0.0543	0.0543
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0059	0.0543	0.0543
Loa Loa (eye worm)	cytochrome P450 family protein	0.0082	0.0801	0.0801
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0171	0.1794	1
Schistosoma mansoni	hypothetical protein	0.0059	0.0543	0.0543

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.6964 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)	3.9811 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	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)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 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)	70.7946 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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.

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: CHEMBL1593615

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1442130