TDR Targets

Basic information

Technical information

TDR Targets ID: 767167
Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benz amide
MW: 266.338 | Formula: C17H18N2O
H donors: 1 H acceptors: 1 LogP: 2.16 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2
InChi: 1S/C17H18N2O/c18-17(20)15-7-5-13(6-8-15)11-19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-12H2,(H2,18,20)
InChiKey: HOPVFAUXESJBTC-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

EU-0016045
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzamide
BAS 02188565
Oprea1_737807
IDI1_033259
TimTec1_007605

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768

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
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0444	0.1375
Echinococcus granulosus	peroxidasin	0.027	0.7931	0.7892
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0227	0.6533	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0444	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Echinococcus multilocularis	protein jagged 2	0.0073	0.155	0.1393
Toxoplasma gondii	ABC1 family protein	0.0039	0.0444	0.1375
Toxoplasma gondii	EGF family domain-containing protein	0.0073	0.155	0.7213
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0777	0.0596
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0192	0.0009
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0444	0.0368
Brugia malayi	Thioredoxin reductase	0.0089	0.2079	0.2446
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0444	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0444	0.0368
Loa Loa (eye worm)	Notch2	0.0073	0.155	0.1385
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Brugia malayi	glutathione reductase	0.0089	0.2079	0.2446
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Echinococcus multilocularis	neurogenic locus notch protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0271	0.0081
Onchocerca volvulus	Putative cubilin	0.0073	0.155	0.1478
Echinococcus granulosus	thioredoxin glutathione reductase	0.009	0.2095	0.1948
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0031	0.0183	0.0881
Plasmodium vivax	thioredoxin reductase, putative	0.0089	0.2079	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Echinococcus multilocularis	peroxidasin	0.027	0.7931	0.7892
Echinococcus granulosus	protein jagged 1	0.0073	0.155	0.1393
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0031	0.0183	0.0881
Leishmania major	trypanothione reductase	0.0089	0.2079	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Brugia malayi	Animal haem peroxidase family protein	0.027	0.7931	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Brugia malayi	Animal haem peroxidase family protein	0.027	0.7931	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0444	0.0336
Brugia malayi	Calcium binding EGF domain containing protein	0.0073	0.155	0.1765
Onchocerca volvulus		0.027	0.7931	1
Leishmania major	hypothetical protein, conserved	0.0039	0.0444	0.2135
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0444	1
Mycobacterium ulcerans	lipase LipD	0.0039	0.0444	1
Loa Loa (eye worm)	animal heme peroxidase	0.027	0.7931	0.789
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0031	0.0183	0.5
Echinococcus granulosus	notch	0.0073	0.155	0.1393
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Brugia malayi	Cadherin domain containing protein	0.0073	0.155	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Schistosoma mansoni	importin beta-1	0.0031	0.0192	0.0009
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0444	0.0257
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0204	0.5794	0.8787
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0444	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0073	0.155	0.1478
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0271	0.0113
Mycobacterium tuberculosis	Probable reductase	0.0204	0.5794	0.7924
Echinococcus multilocularis	thioredoxin glutathione reductase	0.009	0.2095	0.1948
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Entamoeba histolytica	hypothetical protein	0.0075	0.162	1
Echinococcus multilocularis	protein jagged 1	0.0073	0.155	0.1393
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0192	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0444	0.0266
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0073	0.155	0.1478
Schistosoma mansoni	cell polarity protein	0.0073	0.155	0.1393
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0444	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0073	0.155	0.1393
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0645	0.047
Schistosoma mansoni	slit	0.0073	0.155	0.1393
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0645	0.047
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Onchocerca volvulus		0.027	0.7931	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0073	0.155	0.1765
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0444	0.0368
Onchocerca volvulus	Chorion peroxidase homolog	0.027	0.7931	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0227	0.6533	0.8966
Echinococcus multilocularis	fibropellin Ia	0.0073	0.155	0.1393
Brugia malayi	hypothetical protein	0.0075	0.162	0.1855
Loa Loa (eye worm)	glutathione reductase	0.0089	0.2079	0.1924
Brugia malayi	beta-lactamase family protein	0.0039	0.0444	0.0336
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0249	0.7265	1
Trichomonas vaginalis	glutathione reductase, putative	0.0031	0.0183	0.4126
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Loa Loa (eye worm)	blistered cuticle protein 3	0.027	0.7931	0.789
Plasmodium vivax	glutathione reductase, putative	0.0089	0.2079	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Onchocerca volvulus		0.0073	0.155	0.1478
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0444	0.0368
Brugia malayi	Animal haem peroxidase family protein	0.027	0.7931	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0073	0.155	0.1393
Brugia malayi	Calcium binding EGF domain containing protein	0.0073	0.155	0.1765
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0444	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Onchocerca volvulus	Peroxidasin homolog	0.027	0.7931	1
Treponema pallidum	NADH oxidase	0.0031	0.0183	0.5
Brugia malayi	Animal haem peroxidase family protein	0.027	0.7931	1
Schistosoma mansoni	hypothetical protein	0.0075	0.162	0.1464
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0227	0.6533	0.8966
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0089	0.2079	0.2676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0645	0.047
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0444	0.2135
Echinococcus multilocularis	snurportin 1	0.0333	1	1
Trypanosoma brucei	trypanothione reductase	0.0089	0.2079	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0444	1
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0444	0.1375
Echinococcus granulosus	protein jagged 2	0.0073	0.155	0.1393
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Brugia malayi	Importin beta-1 subunit	0.0031	0.0192	0.0011
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0444	0.0368
Schistosoma mansoni	hypothetical protein	0.0333	1	1
Brugia malayi	Blistered cuticle protein 3	0.027	0.7931	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0031	0.0183	0.0881
Onchocerca volvulus		0.0073	0.155	0.1478
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0645	0.0596
Brugia malayi	Calcium binding EGF domain containing protein	0.0073	0.155	0.1765
Brugia malayi	Muscle positioning protein 4	0.0073	0.155	0.1765
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0192	0.0045
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Onchocerca volvulus		0.0073	0.155	0.1478
Onchocerca volvulus	Peroxidasin homolog	0.027	0.7931	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0073	0.155	0.1393
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0444	0.0368
Loa Loa (eye worm)	animal heme peroxidase	0.027	0.7931	0.789
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Trypanosoma cruzi	trypanothione reductase, putative	0.0089	0.2079	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.162	0.1464
Onchocerca volvulus		0.0073	0.155	0.1478
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0031	0.0183	0.5
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Onchocerca volvulus	Peroxidase homolog	0.027	0.7931	1
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0444	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0777	0.0766
Trypanosoma cruzi	trypanothione reductase, putative	0.0031	0.0183	0.0881
Schistosoma mansoni	peroxidasin	0.027	0.7931	0.7892
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0645	0.047
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Echinococcus granulosus	neurogenic locus protein delta	0.0073	0.155	0.1393
Brugia malayi	RNA, U transporter 1	0.0089	0.2061	0.2423
Echinococcus granulosus	slit 2 protein	0.0073	0.155	0.1393
Onchocerca volvulus		0.0073	0.155	0.1478
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0333	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0073	0.155	0.1393
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0645	0.047
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0777	0.0596
Echinococcus granulosus	delta-like protein 1	0.0073	0.155	0.1393
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0777	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Giardia lamblia	High cysteine protein	0.0073	0.155	1
Toxoplasma gondii	thioredoxin reductase	0.0089	0.2079	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Echinococcus multilocularis	slit 2 protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Onchocerca volvulus	Slit protein homolog	0.0073	0.155	0.1478
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0444	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Entamoeba histolytica	hypothetical protein	0.0075	0.162	1
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Echinococcus multilocularis	neurogenic locus protein delta	0.0073	0.155	0.1393
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0031	0.0183	0.0881
Echinococcus multilocularis	neural cadherin	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Echinococcus multilocularis	neurogenic locus protein delta	0.0073	0.155	0.1393
Loa Loa (eye worm)	animal heme peroxidase	0.027	0.7931	0.789
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0645	0.0462
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.162	0.1464
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0444	0.0266
Brugia malayi	Peroxidasin	0.027	0.7931	1
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0444	0.0368
Mycobacterium tuberculosis	Probable dehydrogenase	0.0204	0.5794	0.7924
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0444	0.2135
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0444	0.0257
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Brugia malayi	Delta serrate ligand family protein	0.0073	0.155	0.1765
Brugia malayi	GCC2 and GCC3 family protein	0.0073	0.155	0.1765
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0444	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.162	0.1464
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Onchocerca volvulus	Peroxidase homolog	0.027	0.7931	1
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Echinococcus multilocularis	neurogenic locus notch protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Brugia malayi	beta-lactamase	0.0039	0.0444	0.0336
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0192	0.0045
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0192	0.0045
Schistosoma mansoni	laminin gamma-3 chain	0.0073	0.155	0.1393
Echinococcus multilocularis	notch	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0444	1
Echinococcus granulosus	protein jagged 2	0.0073	0.155	0.1393
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Plasmodium falciparum	glutathione reductase	0.0089	0.2079	1
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Brugia malayi	Cadherin domain containing protein	0.0073	0.155	0.1765
Schistosoma mansoni	hypothetical protein	0.0073	0.155	0.1393
Entamoeba histolytica	hypothetical protein	0.0075	0.162	1
Trichomonas vaginalis	mercuric reductase, putative	0.0031	0.0183	0.4126
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Loa Loa (eye worm)	animal heme peroxidase	0.027	0.7931	0.789
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0204	0.5794	0.7924
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0444	0.0257
Schistosoma mansoni	peroxidasin	0.027	0.7931	0.7892
Schistosoma mansoni	hypothetical protein	0.0034	0.0271	0.0089
Echinococcus granulosus	neural cadherin	0.0073	0.155	0.1393
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Echinococcus multilocularis	protein jagged 1	0.0073	0.155	0.1393
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0031	0.0183	0.5
Onchocerca volvulus		0.027	0.7931	1
Plasmodium falciparum	thioredoxin reductase	0.0089	0.2079	1
Loa Loa (eye worm)	thioredoxin reductase	0.0089	0.2079	0.1924
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0444	0.0266
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0645	0.047
Entamoeba histolytica	hypothetical protein	0.0075	0.162	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Echinococcus granulosus	fibropellin Ia	0.0073	0.155	0.1393
Plasmodium falciparum	importin beta, putative	0.0031	0.0192	0.0045
Brugia malayi	notch-like transmembrane receptor	0.0073	0.155	0.1765
Trichomonas vaginalis	esterase, putative	0.0039	0.0444	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0204	0.5794	0.7924
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0192	0.0045
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0227	0.6533	0.8966
Loa Loa (eye worm)	notch protein	0.0073	0.155	0.1385
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0444	0.0368
Echinococcus granulosus	neurogenic locus notch protein	0.0073	0.155	0.1393
Loa Loa (eye worm)	hypothetical protein	0.027	0.7931	0.789
Echinococcus granulosus	protein jagged 1	0.0073	0.155	0.1393
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0444	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0073	0.155	0.1385
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0031	0.0183	0.0881
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0073	0.155	0.1393
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0645	0.047
Brugia malayi	Animal haem peroxidase family protein	0.027	0.7931	1
Schistosoma mansoni	notch	0.0073	0.155	0.1393
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0444	0.0368
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0204	0.5794	0.7924
Brugia malayi	EGF-like domain containing protein	0.0073	0.155	0.1765
Schistosoma mansoni	septate junction protein	0.0073	0.155	0.1393
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0204	0.5794	0.7924
Brugia malayi	hypothetical protein	0.027	0.7931	1
Onchocerca volvulus	Dual oxidase homolog	0.027	0.7931	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.4662 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

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: CHEMBL1333297
Search by Saint Jude

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 767167