TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.616 | Formula: C21H27N7S2
H donors: 4 H acceptors: 1 LogP: 3.4 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N/N=C(/c1ccccc1)\C)NCCCCNC(=S)N/N=C(/c1ccccn1)\C
InChi: 1S/C21H27N7S2/c1-16(18-10-4-3-5-11-18)25-27-20(29)23-14-8-9-15-24-21(30)28-26-17(2)19-12-6-7-13-22-19/h3-7,10-13H,8-9,14-15H2,1-2H3,(H2,23,27,29)(H2,24,28,30)/b25-16+,26-17+
InChiKey: RRCVTTIFYFLLQR-ZZZAPRPPSA-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
Loa Loa (eye worm)	melatonin receptor type 1A	0.0032	0.0241	0.1025
Echinococcus granulosus	7tm_1 domain containing protein	0.0032	0.0241	0.0241
Brugia malayi	larval opioid receptor	0.0032	0.0241	0.1222
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0305	0.6651
Schistosoma mansoni	amine GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	biogenic amine receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	serotonin receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0043	0.0943
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus granulosus	biogenic amine 5HT receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	flap endonuclease-1	0.0025	0.0143	0.0518
Schistosoma mansoni	neuropeptide receptor	0.0032	0.0241	0.0241
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0305	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0291	0.1552
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0291	0.0711
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0043	0.0943
Schistosoma mansoni	adenoreceptor	0.0032	0.0241	0.0241
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0291	0.6349
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	flap endonuclease-1, putative	0.0025	0.0143	0.035
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0291	0.1552
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0032	0.0241	0.0241
Mycobacterium ulcerans	lipase LipD	0.0035	0.0291	0.1552
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0459	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0305	0.6651
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0138	0.1876	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Schistosoma mansoni	histamine h1 receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0291	0.6349
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0032	0.0241	0.0241
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0291	0.0711
Echinococcus granulosus	neuropeptide receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0291	0.0918
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0305	0.0745
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0291	0.0291
Schistosoma mansoni	hypothetical protein	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Entamoeba histolytica	Flap nuclease, putative	0.0025	0.0143	0.0247
Brugia malayi	G-protein coupled receptor	0.0032	0.0241	0.1222
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.1358	0.4282
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0305	0.6651
Leishmania major	trypanothione reductase	0.0046	0.0459	1
Echinococcus granulosus	serotonin receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	hypothetical protein	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.1536	0.4845
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0291	0.0918
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0043	0.0943
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0.0241	0.0241
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0459	0.2151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0032	0.0241	0.0241
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	flap endonuclease 1	0.0025	0.0143	0.0143
Echinococcus granulosus	cyclin dependent kinase 6	0.04	0.5879	0.5879
Echinococcus multilocularis	sex peptide receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	7TM GPCR rhodopsin	0.0032	0.0241	0.0241
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Echinococcus granulosus	G protein coupled receptor 139	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Echinococcus granulosus	g protein coupled receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0043	0.0943
Echinococcus granulosus	g protein coupled receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Echinococcus granulosus	flap endonuclease 1	0.0025	0.0143	0.0143
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Echinococcus multilocularis	neuropeptide receptor A26	0.0032	0.0241	0.0241
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0305	0.0305
Brugia malayi	beta-lactamase family protein	0.0035	0.0291	0.1475
Echinococcus granulosus	biogenic amine 5HT receptor	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable reductase	0.0105	0.1358	0.4282
Trichomonas vaginalis	esterase, putative	0.0035	0.0291	0.0711
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0291	0.0291
Echinococcus granulosus	tm gpcr rhodopsin	0.0032	0.0241	0.0241
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0032	0.0241	0.0241
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0043	0.023
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0032	0.0241	0.0241
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0043	0.0219
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.1536	0.4845
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0.0241	0.0241
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0043	0.0043
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0043	0.0043
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0043	0.0043
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.1358	0.4282
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0106	0.0106
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0291	0.0918
Leishmania major	DNA polymerase eta, putative	0.0019	0.0043	0.0943
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0032	0.0241	0.1222
Schistosoma mansoni	opsin-like receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	allatostatin A receptor	0.0032	0.0241	0.0241
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0459	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0459	0.0459
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0459	0.1446
Toxoplasma gondii	ABC1 family protein	0.0035	0.0291	0.6349
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Echinococcus granulosus	allatostatin A receptor	0.0032	0.0241	0.0241
Brugia malayi	ORL1-like opioid receptor	0.0032	0.0241	0.1222
Schistosoma mansoni	neuropeptide f receptor 76f	0.0032	0.0241	0.0241
Schistosoma mansoni	serine/threonine protein kinase	0.04	0.5879	0.5879
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.1358	0.4282
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0305	0.0305
Brugia malayi	Dopamine receptor protein 2	0.0032	0.0241	0.1222
Loa Loa (eye worm)	neuropeptide F receptor	0.0032	0.0241	0.1025
Brugia malayi	Muscleblind-like protein	0.0145	0.1974	1
Brugia malayi	jmjC domain containing protein	0.0057	0.063	0.319
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Brugia malayi	putative neuropeptide receptor	0.0032	0.0241	0.1222
Trypanosoma brucei	trypanothione reductase	0.0046	0.0459	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0043	0.0106
Schistosoma mansoni	amine GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.063	0.063
Echinococcus multilocularis	neuropeptide s receptor	0.0032	0.0241	0.0241
Giardia lamblia	Fructose-bisphosphate aldolase	0.0283	0.4095	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0.0241	0.0241
Plasmodium falciparum	glutathione reductase	0.0046	0.0459	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0032	0.0241	0.0241
Schistosoma mansoni	neuropeptide receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.1876	0.5916
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0032	0.0241	0.0241
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0305	0.6651
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0291	0.1552
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0291	0.0711
Brugia malayi	putative neuropeptide receptor NPR1	0.0032	0.0241	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus granulosus	tm gpcr rhodopsin	0.0032	0.0241	0.0241
Brugia malayi	Dopamine receptor	0.0032	0.0241	0.1222
Schistosoma mansoni	hypothetical protein	0.0032	0.0241	0.0241
Brugia malayi	G-protein coupled receptor	0.0032	0.0241	0.1222
Brugia malayi	Serotonin receptor	0.0032	0.0241	0.1222
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	neuropeptides capa receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0032	0.0241	0.0241
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0241	0.0241
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0032	0.0241	0.1222
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Schistosoma mansoni	neuropeptide receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0291	0.0918
Schistosoma mansoni	growth hormone secretagogue receptor	0.0032	0.0241	0.0241
Treponema pallidum	fructose-bisphosphate aldolase	0.0283	0.4095	1
Loa Loa (eye worm)	TYRA-2 protein	0.0032	0.0241	0.1025
Brugia malayi	Flap endonuclease-1	0.0025	0.0143	0.0726
Echinococcus granulosus	fmrfamide receptor	0.0032	0.0241	0.0241
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0032	0.0241	0.1222
Schistosoma mansoni	myosin xvIII	0.0032	0.0241	0.0241
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.4095	1
Schistosoma mansoni	microtubule-associated protein tau	0.0669	1	1
Brugia malayi	glutathione reductase	0.0046	0.0459	0.2323
Schistosoma mansoni	neuropeptide F-like receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	tm gpcr rhodopsin	0.0565	0.841	0.841
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0565	0.841	0.841
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0025	0.0143	0.3125
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.1358	0.6818
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.1974	0.1974
Brugia malayi	jmjC domain containing protein	0.0057	0.063	0.319
Echinococcus granulosus	neuropeptide Y receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Plasmodium falciparum	flap endonuclease 1	0.0025	0.0143	0.3125
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.1536	0.7915
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0043	0.0219
Schistosoma mansoni	opsin-like receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0032	0.0241	0.1025
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.1358	0.4282
Echinococcus multilocularis	cyclin dependent kinase 6	0.04	0.5879	0.5879
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.063	0.063
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0291	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	dna polymerase eta	0.0019	0.0043	0.0043
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0032	0.0241	0.1222
Brugia malayi	GnHR receptor homolog	0.0032	0.0241	0.1222
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0459	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Schistosoma mansoni	amine GPCR	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0291	0.0918
Plasmodium vivax	flap endonuclease 1, putative	0.0025	0.0143	0.3125
Echinococcus multilocularis	orexin receptor type 2	0.0032	0.0241	0.0241
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0459	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	neuropeptide Y receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	g-protein coupled receptor	0.0032	0.0241	0.0241
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.4095	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Brugia malayi	G protein-coupled receptor	0.0032	0.0241	0.1222
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Echinococcus granulosus	muscleblind protein	0.0145	0.1974	0.1974
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0043	0.0943
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0291	0.0918
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.1536	0.4845
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0291	0.1284
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0032	0.0241	0.0241
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.063	0.063
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0.0241	0.0241
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0291	0.0268
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0241	0.0241
Brugia malayi	neuropeptide F receptor	0.0032	0.0241	0.1222
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0291	0.0291
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0025	0.0143	0.3125
Echinococcus granulosus	neuropeptide FF receptor 2	0.0032	0.0241	0.0241
Brugia malayi	RE15519p	0.0032	0.0241	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Brugia malayi	Melatonin receptor type 1A	0.0032	0.0241	0.1222
Onchocerca volvulus		0.0035	0.0291	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.1358	0.4282
Onchocerca volvulus		0.0035	0.0291	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0032	0.0241	0.1025
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Schistosoma mansoni	neuropeptide receptor	0.0032	0.0241	0.0241
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0043	0.0043
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0291	0.0711
Echinococcus multilocularis	neuropeptide receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Schistosoma mansoni	opsin-like receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	inositol-1	0.0036	0.0305	0.1356
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0032	0.0241	0.0241
Echinococcus granulosus	sex peptide receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.063	0.3038
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0305	0.0745
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0.0241	0.0241
Echinococcus granulosus	orexin receptor type 2	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Onchocerca volvulus		0.0035	0.0291	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0291	0.0918
Echinococcus granulosus	g protein coupled receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	biogenic amine receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	G protein coupled receptor 139	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0043	0.0943
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.1876	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.063	0.063
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0291	0.1284
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0043	0.0043
Brugia malayi	Inositol-1	0.0036	0.0305	0.1545
Echinococcus granulosus	neuropeptides capa receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0459	0.0459
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0032	0.0241	0.1025
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0305	0.6651
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0043	0.0136
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	biogenic amine receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus granulosus	hypothetical protein	0.0032	0.0241	0.0241
Echinococcus granulosus	somatostatin receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	unspecified product	0.0019	0.0043	0.0943
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0305	0.0646
Brugia malayi	Dopamine receptor protein 1	0.0032	0.0241	0.1222
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0032	0.0241	0.0241
Brugia malayi	AKH receptor	0.0032	0.0241	0.1222
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.063	0.063
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0291	0.6349
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0291	0.0918
Echinococcus multilocularis	somatostatin receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0291	0.0711
Echinococcus multilocularis	fmrfamide receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0032	0.0241	0.0241
Brugia malayi	beta-lactamase	0.0035	0.0291	0.1475
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0305	0.0745
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0032	0.0241	0.0241
Brugia malayi	beta-lactamase family protein	0.0035	0.0291	0.1475
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0032	0.0241	0.0241
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0305	0.1626
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0043	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0032	0.0241	0.1222
Echinococcus multilocularis	neuropeptide receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	G-protein coupled receptor	0.0032	0.0241	0.1025
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0291	0.0268
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0043	0.0043
Echinococcus multilocularis	serotonin receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1974	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Schistosoma mansoni	amine GPCR	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	microtubule associated protein 2	0.0669	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0305	0.0305
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0.0241	0.0241
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0043	0.0106
Echinococcus multilocularis	muscleblind protein	0.0145	0.1974	0.1974
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.063	0.063
Loa Loa (eye worm)	neuropeptide F receptor	0.0032	0.0241	0.1025
Brugia malayi	neuropeptide F receptor	0.0032	0.0241	0.1222
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.4095	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0241	0.0241
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.063	0.063
Echinococcus granulosus	neuropeptide receptor A26	0.0032	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0032	0.0241	0.1025
Brugia malayi	Serotonin receptor	0.0032	0.0241	0.1222
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.3171	1
Echinococcus granulosus	neuropeptide receptor	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0248	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus multilocularis	dro:myosuppressin receptor	0.0032	0.0241	0.0241
Brugia malayi	G protein-coupled receptor F59B2.13	0.0032	0.0241	0.1222
Leishmania major	hypothetical protein, conserved	0.0035	0.0291	0.6349
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0043	0.0943
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0459	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Echinococcus granulosus	dro:myosuppressin receptor	0.0032	0.0241	0.0241
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0032	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1974	1
Echinococcus multilocularis	fmrfamide receptor	0.0032	0.0241	0.0241
Brugia malayi	follicle stimulating hormone receptor	0.0032	0.0241	0.1222
Giardia lamblia	Flap structure-specific endonuclease	0.0025	0.0143	0.035
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Schistosoma mansoni	amine GPCR	0.0032	0.0241	0.0241
Brugia malayi	sulfakinin receptor protein	0.0032	0.0241	0.1222
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0043	0.0043
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0291	0.1475
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0291	0.6349
Echinococcus granulosus	neuropeptide s receptor	0.0032	0.0241	0.0241
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0032	0.0241	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.1025
Brugia malayi	hypothetical protein	0.0032	0.0241	0.1222
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0032	0.0241	0.0241
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0291	0.1552
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0.0241	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0.0241	0.0241
Brugia malayi	Thioredoxin reductase	0.0046	0.0459	0.2323
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0043	0.023
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0291	0.0918
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0032	0.0241	0.0241
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0241	0.0241
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0025	0.0143	0.3125
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0291	0.1284
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0459	1
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0025	0.0143	0.3125
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0032	0.0241	0.0241
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0043	0.0106

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.221	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.197	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.146	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.073	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.066	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.009	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.956	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.81	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.647	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.564	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.237	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1989651

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1646546