TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 537.606 | Formula: C32H31N3O5
H donors: 0 H acceptors: 4 LogP: 3.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@]2(N1C(=O)N(C2=O)c1ccccc1)Cc1ccccc1)C(C)(C)C
InChi: 1S/C32H31N3O5/c1-31(2,3)35-27(36)24-25(28(35)37)32(19-20-11-7-5-8-12-20)29(38)33(22-13-9-6-10-14-22)30(39)34(32)26(24)21-15-17-23(40-4)18-16-21/h5-18,24-26H,19H2,1-4H3/t24-,25-,26-,32-/m1/s1
InChiKey: JGRRBQUNBCIZLV-WRZBRUQPSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0083	0.0942	0.0954
Loa Loa (eye worm)	hypothetical protein	0.041	0.5169	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	ACC-1 protein	0.0083	0.0942	0.1821
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.041	0.5169	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0448	0.0454
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0083	0.0942	0.1821
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0412	0.0412
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0154	0.0298
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0083	0.0942	0.1821
Echinococcus granulosus	transient receptor potential cation channel	0.001	0.00000010487	0.00000010494
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0784	0.4283
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Brugia malayi	Importin beta-1 subunit	0.003	0.0256	0.0495
Echinococcus granulosus	snurportin 1	0.0318	0.3975	0.3977
Leishmania major	trypanothione reductase	0.0055	0.0582	0.697
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0083	0.0942	0.0942
Trichomonas vaginalis	ran, putative	0.0022	0.0154	0.5591
Entamoeba histolytica	hypothetical protein	0.0042	0.0412	0.8789
Onchocerca volvulus		0.041	0.5169	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0784	0.0785
Onchocerca volvulus		0.0083	0.0942	0.12
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0083	0.0942	0.1821
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0448	0.0866
Echinococcus multilocularis	glycine receptor subunit beta	0.0083	0.0942	0.0942
Schistosoma mansoni	microtubule-associated protein tau	0.0712	0.9071	0.9189
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0118	0.5
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0083	0.0942	0.1821
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0083	0.0942	0.0942
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0784	1
Onchocerca volvulus		0.0083	0.0942	0.12
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0256	0.297
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0183	0.1405
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0183	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0183	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0784	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.0582	0.2985
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0038	0.0365	0.0365
Loa Loa (eye worm)	ACC-1 protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0372	0.4675	0.9045
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.0582	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0318	0.3975	0.769
Echinococcus multilocularis	snurportin 1	0.0318	0.3975	0.3975
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0083	0.0942	0.1821
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0083	0.0942	0.1821
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0154	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0083	0.0942	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0328	0.4109	0.7949
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.1493	0.8837
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.014	0.1674	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0154	0.0786
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0183	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0083	0.0942	0.1821
Schistosoma mansoni	neurotransmitter gated ion channel	0.0038	0.0365	0.037
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0154	0.0786
Plasmodium vivax	glutathione reductase, putative	0.0055	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	GABA receptor subunit	0.0045	0.0448	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Brugia malayi	hypothetical protein	0.0038	0.0365	0.0706
Schistosoma mansoni	nAChR subunit	0.0038	0.0365	0.037
Trypanosoma brucei	trypanothione reductase	0.0055	0.0582	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0083	0.0942	0.0954
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	glutathione reductase	0.0055	0.0582	0.1127
Echinococcus multilocularis	nAChR subunit	0.0083	0.0942	0.0942
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0038	0.0365	0.0706
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0412	0.0418
Echinococcus multilocularis	muscleblind protein	0.0328	0.4109	0.4109
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.014	0.1674	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus granulosus	importin subunit beta 1	0.003	0.0256	0.0256
Brugia malayi	Muscleblind-like protein	0.0328	0.4109	0.7949
Schistosoma mansoni	hypothetical protein	0.0042	0.0412	0.0418
Echinococcus multilocularis	microtubule associated protein 2	0.0712	0.9071	0.9071
Brugia malayi	Cation transporter family protein	0.0083	0.0942	0.1821
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Brugia malayi	hypothetical protein	0.0038	0.0365	0.0706
Echinococcus multilocularis	glycine receptor subunit beta	0.0083	0.0942	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Schistosoma mansoni	nAChR subunit	0.0038	0.0365	0.037
Brugia malayi	excitatory GABA receptor EXP-1A	0.0083	0.0942	0.1821
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0083	0.0942	0.0942
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0083	0.0942	0.0942
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0083	0.0942	0.1821
Schistosoma mansoni	neurotransmitter gated ion channel	0.0038	0.0365	0.037
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Brugia malayi	RNA, U transporter 1	0.0085	0.0964	0.1866
Loa Loa (eye worm)	LGC-31 protein	0.0083	0.0942	0.1821
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0083	0.0942	0.0942
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0038	0.0365	0.0365
Onchocerca volvulus		0.041	0.5169	1
Brugia malayi	hypothetical protein	0.0038	0.0365	0.0706
Entamoeba histolytica	hypothetical protein	0.0042	0.0412	0.8789
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0083	0.0942	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0365	0.0706
Treponema pallidum	NADH oxidase	0.0019	0.0118	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.1493	0.8837
Brugia malayi	Cation transporter family protein	0.041	0.5169	1
Loa Loa (eye worm)	hypothetical protein	0.0328	0.4109	0.7949
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0256	0.297
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0083	0.0942	0.0942
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0784	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0412	0.8789
Entamoeba histolytica	hypothetical protein	0.0045	0.0448	1
Leishmania major	GTP-binding protein, putative	0.0022	0.0154	0.0548
Schistosoma mansoni	ran	0.0022	0.0154	0.0156
Echinococcus granulosus	muscleblind protein	0.0328	0.4109	0.4112
Brugia malayi	hypothetical protein	0.0038	0.0365	0.0706
Entamoeba histolytica	hypothetical protein	0.0042	0.0412	0.8789
Entamoeba histolytica	hypothetical protein	0.0024	0.0183	0.098
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0052	0.0101
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0784	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0118	0.0118
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0038	0.0365	0.0365
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0083	0.0942	0.0942
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Echinococcus granulosus	ankyrin repeat protein	0.0774	0.9871	0.9877
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0038	0.0365	0.0706
Echinococcus granulosus	transient receptor potential cation channel	0.0783	0.9994	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Toxoplasma gondii	thioredoxin reductase	0.0055	0.0582	0.697
Onchocerca volvulus		0.0045	0.0448	0.0173
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0083	0.0942	0.0954
Schistosoma mansoni	hypothetical protein	0.0318	0.3975	0.4027
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0038	0.0365	0.0706
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Brugia malayi	Thioredoxin reductase	0.0055	0.0582	0.1127
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.0582	0.0582
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0083	0.0942	0.0942
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0118	0.0118
Plasmodium vivax	importin-beta 2, putative	0.003	0.0256	0.297
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Echinococcus granulosus	nAChR subunit	0.0045	0.0448	0.0448
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0083	0.0942	0.1821
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0784	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Onchocerca volvulus	Putative nachr subunit	0.0083	0.0942	0.12
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0118	0.0119
Echinococcus multilocularis	transient receptor potential cation channel	0.001	0.00000010487	0.00000010487
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0365	0.0706
Plasmodium falciparum	importin beta, putative	0.003	0.0256	0.297
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0083	0.0942	0.0954
Echinococcus granulosus	glycine receptor subunit beta	0.0083	0.0942	0.0942
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0118	0.0228
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0256	0.0256
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus granulosus	glycine receptor subunit beta	0.0083	0.0942	0.0942
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0038	0.0365	0.0365
Schistosoma mansoni	acetylcholine receptor-related	0.0038	0.0365	0.037
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0256	0.207
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0038	0.0365	0.0706
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.0582	1
Mycobacterium tuberculosis	Probable reductase	0.0125	0.1493	0.8837
Plasmodium falciparum	thioredoxin reductase	0.0055	0.0582	1
Brugia malayi	hypothetical protein	0.0042	0.0412	0.0798
Echinococcus multilocularis	ankyrin repeat protein	0.0774	0.9871	0.9871
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0038	0.0365	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Schistosoma mansoni	neurotransmitter gated ion channel	0.0045	0.0448	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0154	0.0786
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.1493	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0083	0.0942	0.0942
Mycobacterium tuberculosis	Probable oxidoreductase	0.014	0.1674	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Echinococcus multilocularis	muscleblind protein 1	0.0328	0.4109	0.4109
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0083	0.0942	0.0942
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0083	0.0942	0.1821
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0784	0.0784
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0045	0.0448	0.0454
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0183	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0448	0.0866
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0083	0.0942	0.0942
Onchocerca volvulus		0.041	0.5169	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.0582	0.0583
Onchocerca volvulus		0.0045	0.0448	0.0173
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0774	0.9871	1
Schistosoma mansoni	ran	0.0022	0.0154	0.0156
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0083	0.0942	0.1821
Plasmodium falciparum	glutathione reductase	0.0055	0.0582	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0045	0.0448	0.0866
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0083	0.0942	0.0942
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0045	0.0448	0.0866
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0784	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0412	0.0413
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.1493	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Schistosoma mansoni	importin beta-1	0.003	0.0256	0.0259
Onchocerca volvulus		0.0083	0.0942	0.12
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866
Loa Loa (eye worm)	acetylcholine receptor protein	0.0038	0.0365	0.0706
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0784	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0083	0.0942	0.0942
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.041	0.5169	0.5237
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0083	0.0942	0.1821
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0154	0.0786
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0154	0.0548
Loa Loa (eye worm)	hypothetical protein	0.003	0.0256	0.0495
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0083	0.0942	0.1821
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0052	0.0101
Echinococcus granulosus	nAChR subunit	0.0083	0.0942	0.0942
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.014	0.1674	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0118	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.1493	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0083	0.0942	0.0942
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0083	0.0942	0.1821
Brugia malayi	Cation transporter family protein	0.0083	0.0942	0.1821
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0154	0.0786
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.041	0.5169	0.5237
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0038	0.0365	0.037
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Echinococcus granulosus	microtubule associated protein 2	0.0712	0.9071	0.9076
Brugia malayi	glutathione reductase	0.0055	0.0582	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0365	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0942	0.1821
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0154	0.0298
Echinococcus multilocularis	nAChR subunit	0.0045	0.0448	0.0448
Schistosoma mansoni	nAChR subunit	0.0083	0.0942	0.0954
Brugia malayi	hypothetical protein	0.0038	0.0365	0.0706
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0038	0.0365	0.0365
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.0582	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0448	0.0866

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	16.5113 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)	18.526 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)	70.7946 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	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: CHEMBL1891325

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1582631