TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.503 | Formula: C23H31FN2O
H donors: 1 H acceptors: 1 LogP: 4.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)CCN1CC[C@H](C1)NC(=O)C12CC3CC(C2)CC(C1)C3
InChi: 1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m1/s1
InChiKey: DDZQMBOZIXTELH-RXXSEBCPSA-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)	transcription factor SMAD2	0.0117	0.0383	0.0602
Echinococcus multilocularis	lamin	0.0054	0.0121	0.0117
Mycobacterium ulcerans	hypothetical protein	0.0174	0.0623	0.298
Onchocerca volvulus		0.0054	0.0121	0.0315
Onchocerca volvulus		0.0262	0.0989	0.5098
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.0064	0.0101
Entamoeba histolytica	hypothetical protein	0.0151	0.0526	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0293	0.0363
Toxoplasma gondii	hypothetical protein	0.0053	0.0118	0.1404
Brugia malayi	N-terminal motif family protein	0.0204	0.0746	0.1149
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0151	0.0526	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.0145	0.0221
Schistosoma mansoni	hypothetical protein	0.0082	0.0235	0.0271
Entamoeba histolytica	hypothetical protein	0.0151	0.0526	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0176	0.063	0.0966
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.0145	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Schistosoma mansoni	lamin	0.0054	0.0121	0.0091
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0064	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0204	0.0746	0.3761
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0293	0.0363
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0082	0.0235	0.0231
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0262	0.0989	0.1467
Echinococcus granulosus	para nitrobenzyl esterase	0.0262	0.0989	0.1547
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.0064	0.0076
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0157	0.0549	0.3992
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0064	0.0076
Schistosoma mansoni	hypothetical protein	0.0167	0.0594	0.084
Loa Loa (eye worm)	hypothetical protein	0.1551	0.6369	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.0064	0.0101
Loa Loa (eye worm)	hypothetical protein	0.1551	0.6369	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0262	0.0989	0.8906
Echinococcus granulosus	FTZ F1 alpha	0.0041	0.0064	0.0094
Brugia malayi	Carboxylesterase family protein	0.0262	0.0989	0.1531
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0262	0.0989	0.5094
Entamoeba histolytica	hypothetical protein	0.0151	0.0526	1
Schistosoma mansoni	hypothetical protein	0.0176	0.063	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0746	0.1172
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0041	0.0064	0.0094
Echinococcus granulosus	BC026374 protein S09 family	0.0262	0.0989	0.1547
Brugia malayi	Carboxylesterase family protein	0.0262	0.0989	0.1531
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0157	0.0549	0.3992
Echinococcus granulosus	ecdysone induced protein 78C	0.0041	0.0064	0.0094
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0082	0.0235	0.0345
Schistosoma mansoni	alpha glucosidase	0.0041	0.0065	0.0002
Onchocerca volvulus		0.006	0.0145	0.0445
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0293	0.0363
Loa Loa (eye worm)	hypothetical protein	0.006	0.0145	0.0227
Mycobacterium ulcerans	glutaminase	0.0278	0.1056	1
Schistosoma mansoni	alpha-glucosidase	0.0158	0.0556	0.0781
Echinococcus multilocularis	acetylcholinesterase	0.1551	0.6369	0.6367
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0262	0.0989	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.0064	0.0101
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0145	0.0128
Brugia malayi	ecdysteroid receptor	0.0041	0.0064	0.0076
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.0064	0.0076
Onchocerca volvulus		0.0262	0.0989	0.5098
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0041	0.0064	0.0094
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0064	0.0076
Onchocerca volvulus		0.0097	0.0299	0.1293
Echinococcus multilocularis	para nitrobenzyl esterase	0.0262	0.0989	0.0985
Echinococcus multilocularis	musashi	0.0054	0.0121	0.0117
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0331	0.1277	1
Loa Loa (eye worm)	glutaminase 2	0.0278	0.1056	0.1658
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0065	0.0103
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0262	0.0989	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.0064	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Loa Loa (eye worm)	carboxylesterase	0.0262	0.0989	0.1553
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0258	0.097	0.1502
Loa Loa (eye worm)	carboxylesterase	0.1551	0.6369	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0041	0.0064	0.006
Entamoeba histolytica	hypothetical protein	0.0151	0.0526	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0331	0.1277	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0184	0.0663	0.1041
Schistosoma mansoni	survival motor neuron protein	0.0097	0.0299	0.0372
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.0145	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1551	0.6369	1
Echinococcus granulosus	GPCR family 2	0.0082	0.0235	0.0363
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.0064	0.0101
Echinococcus granulosus	acetylcholinesterase	0.1551	0.6369	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0041	0.0064	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Onchocerca volvulus		0.0054	0.0121	0.0315
Schistosoma mansoni	hypothetical protein	0.0167	0.0594	0.084
Brugia malayi	nuclear hormone receptor	0.0041	0.0064	0.0076
Echinococcus multilocularis	neuroligin	0.0262	0.0989	0.0985
Brugia malayi	Pre-SET motif family protein	0.006	0.0145	0.0203
Trichomonas vaginalis	spcc417.12 protein, putative	0.0262	0.0989	0.5094
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0417	0.1637	0.2571
Loa Loa (eye worm)	acetylcholinesterase 1	0.1551	0.6369	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0474	0.1875	0.1871
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0064	0.0076
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0121	0.0091
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0065	0.0096
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.0663	0.0659
Echinococcus multilocularis	geminin	0.0167	0.0594	0.059
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0064	0.006
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0082	0.0235	0.0363
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.0064	0.0101
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0016	0.0025
Onchocerca volvulus		0.0262	0.0989	0.5098
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0145	0.2124
Brugia malayi	Carboxylesterase family protein	0.0262	0.0989	0.1531
Schistosoma mansoni	hypothetical protein	0.0082	0.0235	0.0271
Brugia malayi	hypothetical protein	0.0151	0.0526	0.0802
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0041	0.0064	0.006
Trichomonas vaginalis	set domain proteins, putative	0.0475	0.1878	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0041	0.0064	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Loa Loa (eye worm)	glutaminase	0.0278	0.1056	0.1658
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0082	0.0235	0.0231
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.0132	0.0548
Schistosoma mansoni	acetylcholinesterase	0.0262	0.0989	0.1467
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.0064	0.0076
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0064	0.0094
Schistosoma mansoni	hypothetical protein	0.0097	0.0299	0.0372
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.013	0.0439	0.0684
Echinococcus multilocularis	FTZ F1 alpha	0.0041	0.0064	0.006
Brugia malayi	Pre-SET motif family protein	0.0417	0.1637	0.2552
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0004	0.0007
Echinococcus multilocularis	carboxylesterase 5A	0.1551	0.6369	0.6367
Onchocerca volvulus		0.0106	0.0339	0.1517
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.0064	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0293	0.0289
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0262	0.0989	0.1547
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0064	0.0076
Echinococcus granulosus	survival motor neuron protein 1	0.0474	0.1875	0.2939
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0097	0.0299	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0235	0.0369
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0262	0.0989	0.0985
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.013	0.0439	0.0435
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0041	0.0064	0.006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.0064	0.0101
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.0439	0.0595
Schistosoma mansoni	hypothetical protein	0.0082	0.0235	0.0271
Brugia malayi	MH2 domain containing protein	0.0117	0.0383	0.0578
Schistosoma mansoni	gliotactin	0.0262	0.0989	0.1467
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0117	0.0184
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0065	0.0078
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0262	0.0989	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0174	0.0623	0.3346
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0064	0.0076
Trichomonas vaginalis	glutaminase, putative	0.0278	0.1056	0.5467
Schistosoma mansoni	transcription factor LCR-F1	0.0151	0.0526	0.0732
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0089	0.0197
Brugia malayi	steroid hormone receptor	0.0041	0.0064	0.0076
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0082	0.0235	0.0369
Schistosoma mansoni	hypothetical protein	0.0082	0.0235	0.0271
Echinococcus multilocularis	GPCR, family 2	0.0082	0.0235	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0258	0.097	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Brugia malayi	hypothetical protein	0.0262	0.0989	0.1531
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.0064	0.0076
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.0439	0.0595
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0383	0.0602
Brugia malayi	intermediate filament protein	0.0054	0.0121	0.0165
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0145	0.0128
Echinococcus multilocularis	ecdysone induced protein 78C	0.0041	0.0064	0.006
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0184	0.0663	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.0663	0.0659
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0293	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0989	0.1553
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0293	0.0454
Plasmodium vivax	SET domain protein, putative	0.006	0.0145	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0293	0.0289
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.0293	0.046
Brugia malayi	glutaminase DH11.1	0.0278	0.1056	0.1637
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.0064	0.0076
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.013	0.0439	0.3085
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0064	0.0076
Echinococcus multilocularis	acetylcholinesterase	0.1551	0.6369	0.6367
Schistosoma mansoni	BC026374 protein (S09 family)	0.0262	0.0989	0.1467
Brugia malayi	hypothetical protein	0.0474	0.1875	0.2925
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.0293	0.0436
Echinococcus granulosus	acetylcholinesterase	0.1551	0.6369	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0262	0.0989	0.1467
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0121	0.019
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0064	0.0076
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0262	0.0989	0.1467
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.0064	0.0076
Echinococcus granulosus	lysosomal alpha glucosidase	0.0184	0.0663	0.1036
Schistosoma mansoni	alpha-glucosidase	0.0158	0.0556	0.0781
Schistosoma mansoni	hypothetical protein	0.0151	0.0526	0.0732
Loa Loa (eye worm)	carboxylesterase	0.0262	0.0989	0.1553
Brugia malayi	Carboxylesterase family protein	0.0262	0.0989	0.1531
Brugia malayi	Latrophilin receptor protein 2	0.0082	0.0235	0.0345
Brugia malayi	Carboxylesterase family protein	0.1551	0.6369	1
Schistosoma mansoni	lamin	0.0054	0.0121	0.0091
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0262	0.0989	0.0985
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.0136	0.0207
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0089	0.0197
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0121	0.0165
Echinococcus granulosus	neuroligin	0.0262	0.0989	0.1547
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0065	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0474	0.1875	0.2943
Echinococcus granulosus	lamin dm0	0.0054	0.0121	0.0184
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0089	0.0197
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0121	0.019
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0089	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0145	0.0128
Onchocerca volvulus		0.0475	0.1878	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0064	0.0076
Onchocerca volvulus		0.0262	0.0989	0.5098
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.0064	0.0101
Onchocerca volvulus		0.0262	0.0989	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0176	0.063	0.0989
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0258	0.097	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Echinococcus granulosus	carboxylesterase 5A	0.1551	0.6369	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0041	0.0064	0.006
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0082	0.0235	0.0363
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0064	0.006
Leishmania major	mitochondrial DNA polymerase beta	0.0331	0.1277	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0331	0.1277	1
Echinococcus granulosus	lamin	0.0054	0.0121	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0064	0.0101
Schistosoma mansoni	glutaminase	0.0278	0.1056	0.1574
Brugia malayi	Carboxylesterase family protein	0.1551	0.6369	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0041	0.0064	0.0094
Echinococcus multilocularis	lamin dm0	0.0054	0.0121	0.0117
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0151	0.0526	0.0522
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.0064	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0258	0.097	0.1523
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0041	0.0064	0.006
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0145	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0121	0.019
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.0064	0.0076
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0262	0.0989	0.1467
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0157	0.0549	0.3992
Echinococcus granulosus	geminin	0.0167	0.0594	0.0926
Toxoplasma gondii	aldehyde dehydrogenase	0.013	0.0439	1
Echinococcus granulosus	intermediate filament protein	0.0054	0.0121	0.0184

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.53 nM l-1 hr-1	Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.	ChEMBL.	11078200
Ki (binding)	= 17 nM l-1 hr-1	Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor	ChEMBL.	11078200
Ki (binding)	= 26 nM l-1 hr-1	Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]-ketanserin displacement.	ChEMBL.	11078200

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: CHEMBL1907669

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1599369