TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 610.026 | Formula: C31H27ClF3N5O3
H donors: 2 H acceptors: 5 LogP: 6.69 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.Clc1ccc(cc1)CN1C(=O)C(Cc2ccccc2)Nc2c1c(ncn2)N1CCc2c(C1)cccc2
InChi: 1S/C29H26ClN5O.C2HF3O2/c30-24-12-10-21(11-13-24)17-35-26-27(33-25(29(35)36)16-20-6-2-1-3-7-20)31-19-32-28(26)34-15-14-22-8-4-5-9-23(22)18-34;3-2(4,5)1(6)7/h1-13,19,25H,14-18H2,(H,31,32,33);(H,6,7)
InChiKey: ZVFKCJNCCGSRBG-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

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 %
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
Loa Loa (eye worm)	G-protein coupled receptor	0.004	0.0119	0.0119
Brugia malayi	Serotonin receptor	0.004	0.0119	0.0119
Echinococcus granulosus	g protein coupled receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0027	0.0043	1
Brugia malayi	Cytochrome P450 family protein	0.0093	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.004	0.0119	0.0119
Echinococcus granulosus	serotonin receptor	0.004	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Brugia malayi	larval opioid receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Conserved protein	0.0024	0.0027	0.6209
Echinococcus granulosus	neuropeptide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.004	0.0119	0.0119
Schistosoma mansoni	neuropeptide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0027	0.0043	0.0422
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0027	0.0043	0.0422
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0027	0.0043	0.0422
Echinococcus multilocularis	G protein coupled receptor 139	0.004	0.0119	0.0119
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0027	0.0043	0.1042
Echinococcus multilocularis	serotonin receptor	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine receptor	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0027	0.0043	0.0422
Schistosoma mansoni	opsin-like receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0027	0.0043	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0027	0.0043	0.0422
Echinococcus multilocularis	g protein coupled receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	dro:myosuppressin receptor	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptide s receptor	0.004	0.0119	0.0119
Schistosoma mansoni	neuropeptide receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Brugia malayi	Tachykinin-like peptides receptor 99D	0.004	0.0119	0.0119
Echinococcus multilocularis	serotonin receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0027	0.0043	1
Echinococcus granulosus	neuropeptide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	CYP4Cod1	0.0093	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	orexin receptor type 2	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0027	0.0043	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0027	0.0043	0.0422
Echinococcus multilocularis	G-protein coupled receptor, putative	0.004	0.0119	0.0119
Giardia lamblia	Ceramide glucosyltransferase	0.0819	0.4475	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.004	0.0119	0.0119
Schistosoma mansoni	growth hormone secretagogue receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	sex peptide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	neuropeptide F receptor	0.004	0.0119	0.0119
Leishmania major	cytochrome p450-like protein	0.0027	0.0043	0.1042
Brugia malayi	G protein-coupled receptor	0.004	0.0119	0.0119
Echinococcus granulosus	somatostatin receptor	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptides capa receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.023	0.023
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	allatostatin A receptor	0.004	0.0119	0.0119
Echinococcus granulosus	fmrfamide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide Y receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	cytochrome P450 family protein	0.0093	0.0415	0.0415
Echinococcus multilocularis	fmrfamide receptor	0.004	0.0119	0.0119
Leishmania major	cytochrome p450-like protein	0.0093	0.0415	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide receptor	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Brugia malayi	neuropeptide F receptor	0.004	0.0119	0.0119
Brugia malayi	G-protein coupled receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0027	0.0043	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.004	0.0119	0.0119
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.004	0.0119	0.0119
Loa Loa (eye worm)	neuropeptide F receptor	0.004	0.0119	0.0119
Trypanosoma cruzi	cytochrome P450, putative	0.0093	0.0415	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.004	0.0119	0.0119
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0027	0.0043	0.0422
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0027	0.0043	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0027	0.0043	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	cytochrome P450 family protein	0.0093	0.0415	0.0415
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	allatostatin A receptor	0.004	0.0119	0.0119
Trypanosoma brucei	cytochrome P450, putative	0.0093	0.0415	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0027	0.0043	1
Echinococcus granulosus	tm gpcr rhodopsin	0.004	0.0119	0.0119
Brugia malayi	Melatonin receptor type 1A	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptide FF receptor 2	0.004	0.0119	0.0119
Brugia malayi	cytochrome P450	0.0027	0.0043	0.0043
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0027	0.0043	0.0422
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0027	0.0043	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0027	0.0043	0.0422
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0027	0.0043	0.0422
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.004	0.0119	0.0119
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0027	0.0043	0.1042
Schistosoma mansoni	amine GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.0041	0.0124	0.0124
Echinococcus multilocularis	g protein coupled receptor	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0027	0.0043	0.0422
Trypanosoma cruzi	cytochrome P450, putative	0.0093	0.0415	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.0027	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium leprae	putative cytochrome p450	0.0027	0.0043	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	orexin receptor type 2	0.004	0.0119	0.0119
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.004	0.0119	0.0119
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0027	0.0043	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0124	0.0124
Schistosoma mansoni	amine GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	opsin-like receptor	0.004	0.0119	0.0119
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0027	0.0647
Schistosoma mansoni	neuropeptide receptor	0.004	0.0119	0.0119
Echinococcus granulosus	7TM GPCR rhodopsin	0.004	0.0119	0.0119
Echinococcus granulosus	alpha 1A adrenergic receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.004	0.0119	0.0119
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0027	0.0647
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0027	0.0043	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0093	0.0415	1
Leishmania major	cytochrome p450-like protein	0.0027	0.0043	0.1042
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0027	0.0043	0.0422
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Echinococcus multilocularis	fmrfamide receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide Y receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	somatostatin receptor	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.5373	0.5373
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0027	0.0043	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.004	0.0119	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0043	0.0043
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.004	0.0119	0.0119
Echinococcus granulosus	g-protein coupled receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0027	0.0043	1
Echinococcus multilocularis		0.0027	0.0043	0.0043
Loa Loa (eye worm)	TYRA-2 protein	0.004	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptides capa receptor	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.004	0.0119	0.0119
Brugia malayi	Dopamine receptor	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine (5HT) receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0027	0.0043	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0027	0.0043	1
Echinococcus granulosus	tm gpcr rhodopsin	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	myosin xvIII	0.004	0.0119	0.0119
Brugia malayi	AKH receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	sex peptide receptor	0.004	0.0119	0.0119
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0027	0.0043	0.1042
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptide receptor A26	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Mycobacterium leprae	Conserved hypothetical protein	0.0027	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptides capa receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide FF receptor 2	0.004	0.0119	0.0119
Echinococcus granulosus	cytochrome P450 2K1	0.0027	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.006	0.023	0.023
Brugia malayi	putative neuropeptide receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	g-protein coupled receptor	0.004	0.0119	0.0119
Schistosoma mansoni	alpha-1 adrenergic receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	histamine h1 receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	opsin-like receptor	0.004	0.0119	0.0119
Echinococcus granulosus	7tm_1 domain containing protein	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0027	0.0043	0.0422
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0024	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	biogenic amine 5HT receptor	0.004	0.0119	0.0119
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.004	0.0119	0.0119
Schistosoma mansoni	amine GPCR	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0027	0.0043	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.004	0.0119	0.0119
Schistosoma mansoni	neuropeptide f receptor 76f	0.004	0.0119	0.0119
Loa Loa (eye worm)	G-protein coupled receptor	0.004	0.0119	0.0119
Brugia malayi	G-protein coupled receptor	0.004	0.0119	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0043	0.0043
Loa Loa (eye worm)	cytochrome P450	0.0027	0.0043	0.0043
Echinococcus granulosus	g protein coupled receptor	0.004	0.0119	0.0119
Schistosoma mansoni	adenoreceptor	0.004	0.0119	0.0119
Brugia malayi	neuropeptide F receptor	0.004	0.0119	0.0119
Echinococcus granulosus	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0027	0.0043	1
Schistosoma mansoni	neuropeptide receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.07	0.07
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptide Y receptor	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0027	0.0043	0.1042
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0027	0.0043	1
Echinococcus multilocularis	g protein coupled receptor	0.004	0.0119	0.0119
Echinococcus granulosus	tachykinin peptides receptor 99D	0.004	0.0119	0.0119
Schistosoma mansoni	neuropeptide F-like receptor	0.004	0.0119	0.0119
Schistosoma mansoni	cytochrome P450	0.0027	0.0043	0.0043
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0027	0.0043	0.0422
Schistosoma mansoni	biogenic amine receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0043	0.0043
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0027	0.0043	0.0422
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	biogenic amine (5HT) receptor	0.004	0.0119	0.0119
Brugia malayi	MH2 domain containing protein	0.0144	0.07	0.07
Schistosoma mansoni	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	amine GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.004	0.0119	0.0119
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0027	0.0043	0.0422
Leishmania major	hypothetical protein, conserved	0.0024	0.0027	0.0647
Echinococcus granulosus	G protein coupled receptor 139	0.004	0.0119	0.0119
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0027	0.0043	0.1042
Brugia malayi	Serotonin receptor	0.004	0.0119	0.0119
Leishmania major	hypothetical protein, conserved	0.0024	0.0027	0.0647
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0027	0.0043	1
Echinococcus multilocularis	neuropeptide receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0027	0.0043	1
Echinococcus granulosus	g protein coupled receptor	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide receptor A26	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptides capa receptor	0.004	0.0119	0.0119
Brugia malayi	follicle stimulating hormone receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Brugia malayi	putative neuropeptide receptor NPR1	0.004	0.0119	0.0119
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.004	0.0119	0.0119
Echinococcus granulosus	neuropeptide Y receptor	0.004	0.0119	0.0119
Schistosoma mansoni	amine GPCR	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	biogenic amine 5HT receptor	0.004	0.0119	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0027	0.0043	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.0119	0.0119
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.004	0.0119	0.0119
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Brugia malayi	RE15519p	0.004	0.0119	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0027	0.0043	0.0422
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.004	0.0119	0.0119
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.023	0.023
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.023	0.023
Echinococcus granulosus	tm gpcr rhodopsin	0.004	0.0119	0.0119
Brugia malayi	GnHR receptor homolog	0.004	0.0119	0.0119
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0265	0.0265
Brugia malayi	ORL1-like opioid receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.004	0.0119	0.0119
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.004	0.0119	0.0119
Treponema pallidum	mcbG protein	0.0024	0.0027	0.5
Brugia malayi	Dopamine receptor protein 2	0.004	0.0119	0.0119
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.004	0.0119	0.0119
Echinococcus granulosus	dro:myosuppressin receptor	0.004	0.0119	0.0119
Schistosoma mansoni	neuropeptide F-like receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.0119	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0093	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0027	0.0043	0.0422
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Brugia malayi	sulfakinin receptor protein	0.004	0.0119	0.0119
Brugia malayi	Dopamine receptor protein 1	0.004	0.0119	0.0119
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.07	0.07
Brugia malayi	hypothetical protein	0.004	0.0119	0.0119
Echinococcus multilocularis	neuropeptide s receptor	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	melatonin receptor type 1A	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.0119	0.0119
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0027	0.0043	0.0422
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0027	0.0043	0.0422
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0119	0.0119
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.004	0.0119	0.0119

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	> 120 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]	ChEMBL.	No reference
AC50 (functional)	> 380 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]	ChEMBL.	No reference
EC50 (functional)	> 380 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950]	ChEMBL.	No reference
Potency (functional)	6.5733 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)	10 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 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)	16.3601 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 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)	23.1093 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)	29.0929 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)	29.0929 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 for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 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)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Saccharomyces cerevisiae	ChEMBL23
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: CHEMBL1563469

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1406221