TDR Targets

Basic information

Technical information

TDR Targets ID: 1452054
Name: 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)thiou rea
MW: 322.223 | Formula: C13H12BrN3S
H donors: 2 H acceptors: 1 LogP: 2.64 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: S=C(Nc1ccc(cc1)Br)NCc1ccncc1
InChi: 1S/C13H12BrN3S/c14-11-1-3-12(4-2-11)17-13(18)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,16,17,18)
InChiKey: VASUWBRRBNJSQH-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

3-(4-bromophenyl)-1-(4-pyridylmethyl)thiourea
ZINC00301955
STK144352
MLS001183443
SMR000502992

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.0819	1
Loa Loa (eye worm)	TAR-binding protein	0.0147	0.3325	0.4249
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0055	0.0819	0.0675
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.0819	0.0883
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0506	0.0195
Echinococcus granulosus	lysosomal alpha glucosidase	0.0189	0.447	0.4435
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0055	0.0819	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Schistosoma mansoni	hypothetical protein	0.0042	0.0458	0.122
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0063	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1649	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0146	0.3299	0.3257
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0189	0.447	0.5713
Schistosoma mansoni	alpha-glucosidase	0.0163	0.3753	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.0819	0.0883
Brugia malayi	beta-lactamase	0.0043	0.0506	0.0475
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0463	0.0153
Brugia malayi	MH2 domain containing protein	0.0144	0.3252	0.4049
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0041	0.044	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.0819	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.0463	0.0592
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0506	0.1736
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0884	0.2355
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3252	0.4156
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0506	0.1736
Loa Loa (eye worm)	hypothetical protein	0.0041	0.044	0.0563
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.1286	0.1231
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0189	0.447	0.5634
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0504	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0662	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0041	0.044	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0884	0.1129
Schistosoma mansoni	bromodomain containing protein	0.0076	0.1404	0.3742
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0819	0.1047
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.3325	0.8859
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0458	0.122
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.3325	0.8859
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0506	0.0475
Leishmania major	hypothetical protein, conserved	0.0043	0.0506	0.1206
Brugia malayi	Bromodomain containing protein	0.0046	0.0582	0.0574
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.0819	0.0675
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0506	0.0195
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0506	0.0058
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.0819	0.0883
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0506	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.0463	0.0403
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0458	0.0397
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0463	0.0153
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0041	0.044	0.0094
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0506	0.0058
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.3619	0.9643
Brugia malayi	beta-lactamase family protein	0.0043	0.0506	0.0475
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.7824	1
Onchocerca volvulus		0.0109	0.2299	0.408
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0506	0.0058
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.6895	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.7824	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0146	0.3299	0.3257
Schistosoma mansoni	hypothetical protein	0.0146	0.3299	0.8792
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.0819	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0506	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0055	0.0819	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0725	0.0926
Brugia malayi	TAR-binding protein	0.0147	0.3325	0.4144
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.0819	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0506	0.0475
Mycobacterium ulcerans	lipase LipD	0.0043	0.0506	0.1736
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0506	0.0195
Onchocerca volvulus		0.0057	0.0884	0.0859
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.0819	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0506	0.0058
Onchocerca volvulus		0.0055	0.0819	0.0713
Brugia malayi	RNA binding protein	0.0147	0.3325	0.4144
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0055	0.0819	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.0819	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0055	0.0819	1
Mycobacterium ulcerans	hypothetical protein	0.0055	0.0819	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0506	0.1736
Trichomonas vaginalis	esterase, putative	0.0043	0.0506	0.0058
Plasmodium falciparum	acyl-CoA synthetase	0.0041	0.044	0.5
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0506	0.0647
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0506	0.1349
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.3619	0.9643
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0506	0.0446
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Loa Loa (eye worm)	RNA binding protein	0.0147	0.3325	0.4249
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.3325	0.8859
Brugia malayi	RNA recognition motif domain containing protein	0.0147	0.3325	0.4144
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.5201	0.6436
Entamoeba histolytica	acyl-coA synthetase, putative	0.0055	0.0819	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.044	0.0563
Echinococcus multilocularis	tar DNA binding protein	0.0147	0.3325	0.3283
Toxoplasma gondii	ABC1 family protein	0.0043	0.0506	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0506	0.0195
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0506	0.1736
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Loa Loa (eye worm)	hypothetical protein	0.0041	0.044	0.0563
Brugia malayi	Bromodomain containing protein	0.0091	0.179	0.2147
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.1286	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0584	0.0746
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.7824	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0055	0.0819	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.0463	0.042
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.447	0.4435
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.447	0.4435
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0158	0.3619	0.3579
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.5201	0.6436
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0506	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0819	0.1047
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0506	0.0446
Echinococcus multilocularis	tumor protein p63	0.0392	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Echinococcus granulosus	tar DNA binding protein	0.0147	0.3325	0.3283
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.49	0.6028
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0506	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0647
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0506	0.0195
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3252	0.4156
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0506	1
Brugia malayi	hypothetical protein	0.0042	0.0458	0.0412
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0506	0.1349
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.3325	0.8859
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0147	0.3325	0.4249
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0504	0.0444
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0506	0.0195
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.49	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0458	0.0397
Schistosoma mansoni	alpha glucosidase	0.0042	0.0463	0.1234
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.0463	0.0403
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.0819	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0819	0.1047
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0055	0.0819	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0506	0.0195
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0506	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0041	0.044	0.0563
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0506	1
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.3325	0.8859
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.0819	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0506	0.0195
Schistosoma mansoni	alpha-glucosidase	0.0163	0.3753	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0506	0.0195

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	10.4179 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)	11.2202 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)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1587052

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1452054