TDR Targets

Basic information

Technical information

TDR Targets ID: 1202631
Name: N-[2-[2-methyl-1-(phenylmethyl)indol-3-yl]eth yl]acetamide
MW: 306.401 | Formula: C20H22N2O
H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NCCc1c(C)n(c2c1cccc2)Cc1ccccc1
InChi: 1S/C20H22N2O/c1-15-18(12-13-21-16(2)23)19-10-6-7-11-20(19)22(15)14-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,21,23)
InChiKey: PLPGRZPOHWQLQL-UHFFFAOYSA-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

N-[2-[2-methyl-1-(phenylmethyl)-3-indolyl]ethyl]acetamide
N-[2-[1-(benzyl)-2-methyl-indol-3-yl]ethyl]acetamide
N-[2-[2-methyl-1-(phenylmethyl)indol-3-yl]ethyl]ethanamide
Oprea1_066725
Oprea1_874246
CBMicro_041315
BAS 01394837
N-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-acetamide
ZINC00034878
BIM-0041497.P001
A2321/0097864

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	growth factor, augmenter of liver regeneration	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Augmenter of liver regeneration	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0292	0.6183	0.6183
Loa Loa (eye worm)	RNA binding protein	0.013	0.2613	0.2613
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.1647
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0071	0.1331	0.1209
Mycobacterium ulcerans	lipase LipD	0.0071	0.1331	0.3113
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0207	0.0282
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0207	0.0207
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0207	0.0207
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0207	0.0207
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0032	0.0461	0.0773
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.0242	0.0242
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0207	0.0282
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.1203	0.1203
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0085	0.164	0.2233
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0677	0.3461
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0207	0.0282
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0188	0.3892	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.2613	0.2613
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Plasmodium vivax	thioredoxin reductase, putative	0.0085	0.1629	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0085	0.164	0.2233
Echinococcus multilocularis	GPCR, family 2	0.0065	0.1203	0.1639
Plasmodium vivax	glutathione reductase, putative	0.0085	0.1629	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0032	0.0461	0.1975
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0207	0.4303	0.4303
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.0563
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0207	0.0207
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0207	0.0207
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0207	0.0282
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0207	0.0282
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.1331	0.1331
Plasmodium falciparum	thioredoxin reductase	0.0085	0.1629	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0188	0.3892	0.3882
Plasmodium falciparum	glutathione reductase	0.0085	0.1629	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.2832	0.3857
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.014	0.2832	0.2832
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1054	0.1054
Echinococcus granulosus	expressed protein	0.0032	0.0477	0.065
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.0413	0.1647
Leishmania major	hypothetical protein, conserved	0.0071	0.1331	0.3113
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0188	0.3892	1
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0207	0.0207
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0029	0.0413	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.0563
Loa Loa (eye worm)	TAR-binding protein	0.013	0.2613	0.2613
Brugia malayi	hypothetical protein	0.0036	0.0554	0.0554
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0207	0.4303	0.4303
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1331	0.1181
Trichomonas vaginalis	rotamase, putative	0.0032	0.0461	0.0293
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0207	0.0207
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0677	0.3461
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.2613	0.2613
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0029	0.0413	0.1647
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0207	0.0282
Echinococcus granulosus	histone lysine methyltransferase setb	0.0059	0.1054	0.1436
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1331	0.1813
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0207	0.0282
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0413	0.1647
Schistosoma mansoni	hypothetical protein	0.0065	0.1203	0.1639
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0207	0.0282
Brugia malayi	RNA binding protein	0.013	0.2613	0.2613
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0173	0.0173
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0173	0.0236
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0207	0.0207
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0071	0.1331	0.3113
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0207	0.0207
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0207	0.0282
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0467	1	1
Schistosoma mansoni	hypothetical protein	0.0065	0.1203	0.1639
Trichomonas vaginalis	mercuric reductase, putative	0.0029	0.0413	0.0245
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.1054	0.1436
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0207	0.0282
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0207	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4303	0.4303
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0188	0.3892	0.5301
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0029	0.0413	0.0645
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0029	0.0413	0.0645
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0677	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0032	0.0477	0.0477
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0207	0.0282
Mycobacterium tuberculosis	Probable lipase LipD	0.0071	0.1331	0.1209
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0207	0.0282
Brugia malayi	TAR-binding protein	0.013	0.2613	0.2613
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0032	0.0461	0.7541
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1331	0.1181
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.1203	0.1639
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.1647
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0193	0.4012	0.4007
Brugia malayi	MH2 domain containing protein	0.0117	0.2339	0.2339
Schistosoma mansoni	coup transcription factor	0.002	0.0207	0.0282
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.1054	0.1436
Loa Loa (eye worm)	thioredoxin reductase	0.0085	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0207	0.0207
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0215	0.4485	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0059	0.1054	0.1436
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1331	0.7955
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0207	0.0207
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.014	0.2832	0.2832
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0029	0.0413	0.1647
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0207	0.0207
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0085	0.1629	0.1519
Toxoplasma gondii	peptidylprolyl isomerase	0.0032	0.0461	0.0773
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0193	0.4012	0.4007
Brugia malayi	glutathione reductase	0.0085	0.1629	0.1629
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0554	0.0755
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0188	0.3892	0.5301
Leishmania major	trypanothione reductase	0.0085	0.1629	0.3914
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.1054	0.1436
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.0461	0.1975
Echinococcus multilocularis	geminin	0.0345	0.7342	1
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0207	0.0282
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.2832	0.3857
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0207	0.0207
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0173	0.0173
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0207	0.0207
Brugia malayi	beta-lactamase	0.0071	0.1331	0.1331
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.0677	0.0677
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0029	0.0413	0.1647
Echinococcus multilocularis	tar DNA binding protein	0.013	0.2613	0.356
Toxoplasma gondii	aldehyde dehydrogenase	0.0188	0.3892	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0215	0.4485	0.4502
Brugia malayi	nuclear hormone receptor	0.002	0.0207	0.0207
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2613	0.356
Entamoeba histolytica	hypothetical protein	0.0036	0.0554	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0207	0.0282
Schistosoma mansoni	ap endonuclease	0.0018	0.0173	0.0236
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0207	0.0282
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0207	0.0207
Entamoeba histolytica	hypothetical protein	0.0036	0.0554	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2339	0.2339
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1331	0.1181
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0029	0.0413	0.0645
Schistosoma mansoni	aldehyde dehydrogenase	0.0188	0.3892	0.5301
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Echinococcus granulosus	geminin	0.0345	0.7342	1
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0207	0.0282
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0207	0.0207
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0207	0.0207
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0207	0.0282
Brugia malayi	Augmenter of liver regeneration	0.0041	0.0677	0.0677
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0409	0.8735	0.8735
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0207	0.0207
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0029	0.0413	0.1647
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.1203	0.1639
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2868	0.2868
Mycobacterium ulcerans	beta-lactamase	0.0071	0.1331	0.3113
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0029	0.0413	0.1647
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.2832	0.3857
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Loa Loa (eye worm)	beta-lactamase	0.0071	0.1331	0.1331
Echinococcus granulosus	GPCR family 2	0.0065	0.1203	0.1639
Schistosoma mansoni	ap endonuclease	0.0018	0.0173	0.0236
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.0242	0.0242
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.1331	0.7955
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0029	0.0413	0.025
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0207	0.0282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.2832	0.3857
Brugia malayi	Pre-SET motif family protein	0.0409	0.8735	0.8735
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0554	0.0755
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.1331	0.1813
Schistosoma mansoni	hypothetical protein	0.0036	0.0554	0.0755
Schistosoma mansoni	aldehyde dehydrogenase	0.0188	0.3892	0.5301
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.1331	0.1181
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0677	0.1354
Brugia malayi	ecdysteroid receptor	0.002	0.0207	0.0207
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0207	0.0207
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.0461	0.1975
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0056	0.1007	0.1372
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0207	0.0207
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1331	0.1209
Mycobacterium ulcerans	esterase/lipase LipP	0.0071	0.1331	0.3113
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0207	0.0282
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0059	0.1054	0.1436
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2613	0.356
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0677	0.3461
Brugia malayi	nuclear receptor NHR-88	0.002	0.0207	0.0207
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.0645
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0207	0.0282
Plasmodium falciparum	thioredoxin reductase	0.0029	0.0413	0.1647
Schistosoma mansoni	hypothetical protein	0.0345	0.7342	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0215	0.4485	0.4502
Schistosoma mansoni	rotamase	0.0032	0.0477	0.065
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0413	1
Toxoplasma gondii	thioredoxin reductase	0.0085	0.1629	0.3914
Trichomonas vaginalis	esterase, putative	0.0071	0.1331	0.1181
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1331	0.1209
Echinococcus multilocularis	expressed protein	0.0032	0.0477	0.065
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0677	0.3461
Onchocerca volvulus		0.0292	0.6183	0.6119
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0413	0.1647
Mycobacterium tuberculosis	Probable reductase	0.0193	0.4012	0.4007
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.1054	0.1436
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0413	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.1203	0.1639
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.0563
Toxoplasma gondii	NADPH-glutathione reductase	0.0029	0.0413	0.0645
Trichomonas vaginalis	glutathione reductase, putative	0.0029	0.0413	0.0245
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.1054	0.237
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.1331	0.7955
Onchocerca volvulus		0.0465	0.9973	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.1331	0.1813
Mycobacterium tuberculosis	Probable dehydrogenase	0.0193	0.4012	0.4007
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0207	0.0282
Entamoeba histolytica	hypothetical protein	0.0036	0.0554	1
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1331	0.1209
Mycobacterium tuberculosis	Probable lipase LipE	0.0071	0.1331	0.1209
Trichomonas vaginalis	set domain proteins, putative	0.0465	0.9973	1
Toxoplasma gondii	ABC1 family protein	0.0071	0.1331	0.3113
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.1647
Brugia malayi	beta-lactamase family protein	0.0071	0.1331	0.1331
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0554	0.0755
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2613	0.356
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0207	0.0282
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.1331	0.1181
Brugia malayi	beta-lactamase family protein	0.0071	0.1331	0.1331
Mycobacterium tuberculosis	Probable oxidoreductase	0.0215	0.4485	0.4502
Schistosoma mansoni	hypothetical protein	0.0345	0.7342	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0207	0.0207
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.1203	0.1203
Echinococcus granulosus	tar DNA binding protein	0.013	0.2613	0.356
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0193	0.4012	0.4007
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2613	0.356
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.2832	0.3857
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1331	0.1331
Schistosoma mansoni	hypothetical protein	0.0141	0.2868	0.3907
Mycobacterium ulcerans	hypothetical protein	0.0071	0.1331	0.3113
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0071	0.1331	0.1209
Mycobacterium tuberculosis	Probable esterase LipL	0.0071	0.1331	0.1209
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0207	0.0282
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0207	0.0282
Brugia malayi	steroid hormone receptor	0.002	0.0207	0.0207
Schistosoma mansoni	hypothetical protein	0.0065	0.1203	0.1639
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0413	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0207	0.0207
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0173	0.0236
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0188	0.3892	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0207	0.0282
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0071	0.1331	0.1209
Trypanosoma brucei	trypanothione reductase	0.0085	0.1629	1
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.0677	0.0922
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0455	0.9752	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0029	0.0413	0.0645
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0477	0.031
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.0677	0.0922
Trichomonas vaginalis	rotamase, putative	0.0032	0.0477	0.031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.2832	0.3857
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0413	0.0413
Brugia malayi	Thioredoxin reductase	0.0085	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0207
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0677	0.3461
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0188	0.3892	1
Onchocerca volvulus		0.0059	0.1054	0.0868
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0029	0.0413	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0292	0.6183	0.6183
Schistosoma mansoni	hypothetical protein	0.0065	0.1203	0.1639
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2339	0.2339
Plasmodium vivax	SET domain protein, putative	0.0059	0.1054	0.6055
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0029	0.0413	0.0645
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0677	0.3461
Brugia malayi	Pre-SET motif family protein	0.0059	0.1054	0.1054
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0207	0.0282
Onchocerca volvulus		0.0071	0.1331	0.1151
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.1331	0.1331
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0207	0.4303	0.4303
Trypanosoma cruzi	trypanothione reductase, putative	0.0085	0.1629	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.1203	0.1639
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0207	0.0282
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0193	0.4012	0.4007
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0207	0.0282
Onchocerca volvulus		0.0071	0.1331	0.1151
Entamoeba histolytica	hypothetical protein	0.0036	0.0554	1
Loa Loa (eye worm)	glutathione reductase	0.0085	0.1629	0.1629
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0193	0.4012	0.8499
Schistosoma mansoni	tar DNA-binding protein	0.013	0.2613	0.356
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.1203	0.1203
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.2868	0.2868
Onchocerca volvulus		0.0071	0.1331	0.1151
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0029	0.0413	0.1647
Plasmodium falciparum	glutathione reductase	0.0029	0.0413	0.1647
Leishmania major	hypothetical protein, conserved	0.0041	0.0677	0.1354
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0207	0.0282
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.2832	0.3857
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0032	0.0477	0.0477
Treponema pallidum	NADH oxidase	0.0029	0.0413	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0413	0.0645
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1331	0.1813
Mycobacterium tuberculosis	Probable hydrolase	0.0071	0.1331	0.1209
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1331	0.7955
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1203	0.1203

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 3.023 uM	PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]	ChEMBL.	No reference
Potency (functional)	14.581 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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: CHEMBL1300764

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1202631