TDR Targets

Basic information

Technical information

TDR Targets ID: 1650271
Name: 1-(phenylmethyl)-3-(1-thiophen-2-ylethylidene amino)thiourea
MW: 289.419 | Formula: C14H15N3S2
H donors: 2 H acceptors: 0 LogP: 3.33 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(NCc1ccccc1)N/N=C(/c1cccs1)\C
InChi: 1S/C14H15N3S2/c1-11(13-8-5-9-19-13)16-17-14(18)15-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,15,17,18)/b16-11+
InChiKey: IBHLZSUIUYTRFR-LFIBNONCSA-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

1-(phenylmethyl)-3-[1-(2-thienyl)ethylideneamino]thiourea
1-(benzyl)-3-[1-(2-thienyl)ethylideneamino]thiourea
MLS001003686
SMR000347543
T0509-9214

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	adrenoceptor beta 2, surface	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	tyrosyl-DNA phosphodiesterase 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania major	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania braziliensis	tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210	Get druggable targets OG5_129037	All targets in OG5_129037
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Cryptosporidium parvum	tyrosyl-DNA phodphodiesterase 1 (tdp1)	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma japonicum	ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma congolense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania infantum	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania mexicana	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma brucei gambiense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania donovani	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037

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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0123	0.0409
Loa Loa (eye worm)	hypothetical protein	0.2453	0.9985	1
Echinococcus granulosus	expressed conserved protein	0.0093	0.0351	0.0331
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.0296	0.0276
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0144	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Schistosoma mansoni	caspase-7 (C14 family)	0.0031	0.0098	0.0098
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0044	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0123	0.7269
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0048	0.0048
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0376	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0066	0.0066
Brugia malayi	CHE-14 protein	0.0043	0.0144	0.0144
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0296	0.0984
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0107	1
Brugia malayi	hypothetical protein	0.0148	0.0574	0.0574
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0376	0.0356
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.2457	1	1
Schistosoma mansoni	protein kinase	0.2457	1	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0144	0.0145
Schistosoma mansoni	coup transcription factor	0.0012	0.002	0.002
Schistosoma mansoni	protein kinase	0.2457	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0743	0.3005	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0068	0.4266
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0066	0.0045
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.002	0.002
Brugia malayi	hypothetical protein	0.0031	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.074	0.299	0.2995
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.002	0.002
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0068	0.4266
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0066
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.002	0.002
Onchocerca volvulus		0.0182	0.0715	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0044	0.0044
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0574	0.7972
Echinococcus granulosus	dna polymerase eta	0.0023	0.0066	0.0045
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.006	0.0216	0.0217
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.002	0.002
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.002	0.002
Trypanosoma brucei	unspecified product	0.0016	0.0036	0.1219
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.002	0.002
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0031	0.0098	0.0077
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.002	0.002
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.002	0.002
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.002	0.002
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.002	0.002
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0044	0.3545
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0068	0.5558
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0048	0.0028
Onchocerca volvulus		0.0024	0.0068	0.069
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0585	0.0586
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0107	1
Trypanosoma brucei	unspecified product	0.0023	0.0066	0.2217
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0216	0.0216
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0123	0.4151
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.002	0.002
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.0549	0.053
Echinococcus multilocularis	geminin	0.0205	0.0806	0.0787
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.002	0.002
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0066	0.5342
Echinococcus granulosus	muscleblind protein	0.0151	0.0585	0.0566
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Schistosoma mansoni	hypothetical protein	0.0041	0.0138	0.0138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0066	0.0045
Echinococcus multilocularis	muscleblind protein	0.0151	0.0585	0.0566
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0296	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0048	0.0048
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.0296	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0574	0.0575
Schistosoma mansoni	hypothetical protein	0.0041	0.0138	0.0138
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.2457	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0066	0.3871
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0144	0.0124
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0296	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0585	0.0586
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.0585	0.0566
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.002	0.002
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0138	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.0296	0.7429
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0743	0.3005	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.002	0.002
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0218
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0066
Schistosoma mansoni	hypothetical protein	0.0019	0.0048	0.0048
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Brugia malayi	steroid hormone receptor	0.0012	0.002	0.002
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0066	0.2217
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0068	0.0068
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0144	0.0124
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.002	0.002
Echinococcus multilocularis	protein patched	0.0043	0.0144	0.0124
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0144	0.0124
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0066	0.0045
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0068	0.0086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.002	0.002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.002	0.002
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0123	0.0123
Schistosoma mansoni	hypothetical protein	0.0041	0.0138	0.0138
Brugia malayi	nuclear hormone receptor	0.0012	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0068	0.5558
Schistosoma mansoni	hypothetical protein	0.0025	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0376	0.0376
Brugia malayi	ecdysteroid receptor	0.0012	0.002	0.002
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.002	0.002
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0068	0.5558
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0123	0.7269
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0019	0.0048	0.0048
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.0382	0.0382
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.0296	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0036	0.1219
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0044	0.0593
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0123	0.0103
Onchocerca volvulus		0.0031	0.0098	0.1112
Schistosoma mansoni	hypothetical protein	0.0031	0.0098	0.0098
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0351	0.0331
Schistosoma mansoni	hypothetical protein	0.0019	0.0048	0.0048
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0066	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0218
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0066	0.2217
Schistosoma mansoni	hypothetical protein	0.0041	0.0138	0.0138
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0068	0.5558
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0044	0.0044
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0123	0.4151
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.0159	0.0139
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0123	0.0123
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0048	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0715	0.0716
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0066	0.0045
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0216	0.0216
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0068	0.5558
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.002	0.002
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0048	0.0048
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.0549	0.053
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0068	0.2307
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0036	0.1219
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0743	0.3005	0.301
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.002	0.002
Echinococcus granulosus	apoptotic protease activating factor 1	0.0031	0.0098	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0098	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.002	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.002	0.002
Brugia malayi	Muscleblind-like protein	0.0151	0.0585	0.0585
Brugia malayi	nuclear receptor NHR-88	0.0012	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0048	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0183	0.0184
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.002	0.002
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0068	0.0068
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0123	0.1846
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.002	0.002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.002	0.002
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0376	0.0356
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.002	0.002
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.002	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.002	0.002
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0216	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.0159	0.0139
Schistosoma mansoni	hypothetical protein	0.0041	0.0138	0.0138
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.0296	0.0296
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0044	0.5
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0123	0.0103
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0066	0.0218
Brugia malayi	Cell death protein 3 precursor	0.0031	0.0098	0.0098
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0066
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0123	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0068	0.0086
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0036	0.1219
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0044	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0068	0.0068
Leishmania major	DNA polymerase eta, putative	0.0023	0.0066	0.2217
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0068	0.5558
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.002	0.002
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0205	0.0806	0.0806
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0218
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0068	0.5558
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.2217
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0068	0.0068
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0066	0.3871
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0066	0.0045
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0574	0.7972
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0123	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Loa Loa (eye worm)	inositol-1	0.0037	0.0123	0.0123
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0169	0.0149
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.002	0.002
Brugia malayi	Inositol-1	0.0037	0.0123	0.0123
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0068	0.2307
Echinococcus granulosus	GPCR family 2	0.0019	0.0048	0.0028
Schistosoma mansoni	hypothetical protein	0.0205	0.0806	0.0806
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.0296	0.0276
Echinococcus granulosus	caspase 2	0.0031	0.0098	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0048	0.0048
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.002	0.002
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0376	0.0376
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0068	0.0086
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0068	0.2307
Onchocerca volvulus	Cell death protein 3 homolog	0.0031	0.0098	0.1112
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0574	0.0575
Brugia malayi	hypothetical protein	0.0182	0.0715	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0098	0.0098
Echinococcus granulosus	geminin	0.0205	0.0806	0.0787
Echinococcus multilocularis	caspase 2	0.0031	0.0098	0.0077
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0123	0.0409
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0123	0.7269
Trypanosoma brucei	unspecified product	0.0016	0.0036	0.1219
Schistosoma mansoni	hypothetical protein	0.0019	0.0048	0.0048
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0144	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0044	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.2217
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0068	0.5558
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0048	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.002	0.002
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0123	0.5
Schistosoma mansoni	patched 1	0.0043	0.0144	0.0144
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0066	0.5342
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.002
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0048	0.0028

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.4467 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No 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)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459]	ChEMBL.	No reference
Potency (functional)	6.5131 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)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (binding)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (binding)	25.1189 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 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 Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	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 (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	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: CHEMBL2002444

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1650271