TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 548.074 | Formula: C34H30ClN3O2
H donors: 1 H acceptors: 2 LogP: 6.65 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: Clc1cc(ccc1C(=O)N1C[C@H]2C3CCC(N2Cc2c1cccc2)C3)NC(=O)c1ccccc1c1ccccc1
InChi: 1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m0/s1
InChiKey: XCEVNDYZCVEEJT-LGISWJOYSA-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	arginine vasopressin receptor 2	Starlite/ChEMBL	References

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)	hypothetical protein	0.0955	0.247	0.247
Brugia malayi	Zinc finger, C2H2 type family protein	0.0318	0.0779	0.0779
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0212	0.0212
Schistosoma mansoni	inositol transporter	0.0039	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0039	0.004	0.004
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.1316	0.3429	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0153	0.0153
Schistosoma mansoni	hypothetical protein	0.0082	0.0153	0.0153
Echinococcus granulosus	Niemann Pick C1 protein	0.0284	0.0688	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0167	0.0379	0.0379
Echinococcus multilocularis	Niemann Pick C1 protein	0.0198	0.0462	0.0462
Echinococcus granulosus	zinc finger transcription factor gli2	0.0318	0.0779	0.0779
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.0043	0.0043
Echinococcus multilocularis	isocitrate dehydrogenase	0.0049	0.0065	0.0065
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.379	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0038	0.0038
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0041	0.0043	0.0043
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0043	0.0043
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0096	0.0096
Echinococcus multilocularis	FTZ F1 alpha	0.0041	0.0043	0.0043
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0043	0.0043
Entamoeba histolytica	deoxycytidine triphosphate deaminase, putative	0.1316	0.3429	0.328
Entamoeba histolytica	hypothetical protein	0.379	1	1
Entamoeba histolytica	hypothetical protein	0.2474	0.6506	0.6426
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.0043	0.0043
Echinococcus multilocularis	lamin	0.0083	0.0156	0.0156
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0045	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0462	0.0462
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.025	0.06	0.06
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0049	0.0065	1
Brugia malayi	hypothetical protein	0.0121	0.0256	0.0256
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0156	0.0156
Entamoeba histolytica	hypothetical protein	0.1316	0.3429	0.328
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0033	0.0033
Echinococcus granulosus	FTZ F1 alpha	0.0041	0.0043	0.0043
Onchocerca volvulus		0.0039	0.004	0.0152
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.379	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0955	0.247	0.247
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0041	0.0043	0.0043
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0065	0.0065
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0065	1
Brugia malayi	hypothetical protein	0.0108	0.0223	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0256	0.0256
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.0563	0.156
Brugia malayi	hypothetical protein	0.0955	0.247	0.247
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.379	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.2473	0.6503	0.6503
Schistosoma mansoni	retinoic acid receptor RXR	0.0041	0.0043	0.0043
Brugia malayi	MH2 domain containing protein	0.0359	0.0889	0.0889
Echinococcus multilocularis	protein patched	0.0085	0.0161	0.0161
Onchocerca volvulus		0.0083	0.0156	0.2933
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.379	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0043	0.0043
Brugia malayi	Latrophilin receptor protein 2	0.0079	0.0145	0.0145
Schistosoma mansoni	lamin	0.0083	0.0156	0.0156
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0049	0.0065	1
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0039	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0039	0.004	0.004
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.379	1	1
Schistosoma mansoni	survival motor neuron protein	0.0195	0.0452	0.0452
Brugia malayi	isocitrate dehydrogenase	0.0049	0.0065	0.0065
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.379	1	1
Echinococcus multilocularis	protein dispatched 1	0.0097	0.0193	0.0193
Echinococcus granulosus	sterol regulatory element binding protein	0.0085	0.0161	0.0161
Echinococcus granulosus	geminin	0.0167	0.0379	0.0379
Echinococcus multilocularis	geminin	0.0167	0.0379	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Onchocerca volvulus		0.0083	0.0156	0.2933
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0065	0.0065
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0049	0.0065	0.0065
Loa Loa (eye worm)	intermediate filament protein	0.0083	0.0156	0.0156
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0043	0.0043
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0041	0.0043	0.0043
Echinococcus granulosus	dUTP pyrophosphatase	0.379	1	1
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.1316	0.3429	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.1316	0.3429	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0085	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0171	0.039	0.039
Schistosoma mansoni	jumonji domain containing protein	0.006	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.0043	0.0043
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.379	1	1
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0039	0.004	0.0006
Echinococcus multilocularis	lysine specific demethylase 5A	0.006	0.0096	0.0096
Brugia malayi	steroid hormone receptor	0.0041	0.0043	0.0043
Onchocerca volvulus		0.0195	0.0452	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0041	0.0043	0.0043
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0083	0.0156	0.0156
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.0043	0.0043
Echinococcus multilocularis	ecdysone induced protein 78C	0.0041	0.0043	0.0043
Brugia malayi	CHE-14 protein	0.0085	0.0161	0.0161
Echinococcus granulosus	ecdysone induced protein 78C	0.0041	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0082	0.0153	0.0153
Echinococcus multilocularis	dUTP pyrophosphatase	0.379	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0043	0.0043
Brugia malayi	cytoplasmic intermediate filament protein	0.0045	0.0053	0.0053
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.0043	0.0043
Schistosoma mansoni	lamin	0.0083	0.0156	0.0156
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0065	0.0065
Echinococcus granulosus	lamin	0.0083	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0161	0.0161
Echinococcus multilocularis	GPCR, family 2	0.0079	0.0145	0.0145
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0043	0.0043
Entamoeba histolytica	hypothetical protein	0.379	1	1
Brugia malayi	beta-lactamase	0.0037	0.0033	0.0033
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.379	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.06	0.06
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.379	1	1
Schistosoma mansoni	hypothetical protein	0.0167	0.0379	0.0379
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0161	0.0128
Echinococcus granulosus	lysine specific demethylase 5A	0.006	0.0096	0.0096
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.0043	0.0043
Echinococcus granulosus	GPCR family 2	0.0079	0.0145	0.0145
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0041	0.0043	0.024
Entamoeba histolytica	hypothetical protein	0.2474	0.6506	0.6426
Brugia malayi	beta-lactamase family protein	0.0037	0.0033	0.0033
Loa Loa (eye worm)	transcription factor SMAD2	0.0359	0.0889	0.0889
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0195	0.0452	0.0452
Schistosoma mansoni	hypothetical protein	0.0079	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.0043	0.0043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.0043	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0043	0.0043
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, putative	0.1316	0.3429	0.328
Schistosoma mansoni	transcription factor LCR-F1	0.0108	0.0223	0.0223
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.0043	0.0043
Echinococcus granulosus	expressed conserved protein	0.0186	0.043	0.043
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0041	0.0043	0.0043
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0041	0.0043	0.0043
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0049	0.0065	0.0031
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0049	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Echinococcus granulosus	Niemann Pick C1 protein	0.0198	0.0462	0.0462
Brugia malayi	ecdysteroid receptor	0.0041	0.0043	0.0043
Echinococcus multilocularis	neuropeptide receptor A26	0.0444	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0256	0.0256
Echinococcus granulosus	solute carrier family 5	0.0039	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0108	0.0223	0.0223
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.379	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0171	0.039	0.039
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0039	0.004	0.004
Echinococcus granulosus	neuropeptide s receptor	0.0444	0.1114	0.1114
Onchocerca volvulus	Bile acid receptor homolog	0.0041	0.0043	0.024
Loa Loa (eye worm)	zinc finger protein	0.0318	0.0779	0.0779
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.004	0.0042	0.0042
Brugia malayi	intermediate filament protein	0.0083	0.0156	0.0156
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0065	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0049	0.0065	0.0092
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0041	0.0043	0.0043
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.004	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0043	0.0043
Loa Loa (eye worm)	dUTP diphosphatase	0.379	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0033	0.0033
Brugia malayi	beta-lactamase family protein	0.0037	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0082	0.0153	0.0153
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0065	0.0065
Schistosoma mansoni	hypothetical protein	0.0079	0.0145	0.0145
Brugia malayi	jmjC domain containing protein	0.006	0.0096	0.0096
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0049	0.0065	0.0065
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0079	0.0145	0.0145
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.006	0.0096	0.0096
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0065	1
Schistosoma mansoni	coup transcription factor	0.0041	0.0043	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0043	0.0043
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0041	0.0043	0.0043
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0065	0.0065
Echinococcus granulosus	high affinity choline transporter 1	0.0357	0.0884	0.0884
Echinococcus granulosus	sodium:glucose cotransporter	0.0039	0.004	0.004
Echinococcus granulosus	lamin dm0	0.0083	0.0156	0.0156
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0039	0.004	0.004
Echinococcus multilocularis	neuropeptide s receptor	0.0444	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0038	0.0038
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0065	0.0065
Echinococcus multilocularis	expressed conserved protein	0.0186	0.043	0.043
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0043	0.0043
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0039	0.004	0.004
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.379	1	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.379	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0065	0.0031
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.0043	0.0043
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.025	0.06	0.06
Brugia malayi	Intermediate filament tail domain containing protein	0.0083	0.0156	0.0156
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0041	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0171	0.039	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.0043	0.0043
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0096	0.0096
Echinococcus multilocularis	high affinity choline transporter 1	0.0357	0.0884	0.0884
Loa Loa (eye worm)	MH2 domain-containing protein	0.0359	0.0889	0.0889
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0065	0.0065
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0065	0.0031
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.0043	0.0043
Onchocerca volvulus	Protein ultraspiracle homolog	0.0041	0.0043	0.024
Echinococcus multilocularis	musashi	0.0083	0.0156	0.0156
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0108	0.0223	0.0223
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0043	0.0043
Brugia malayi	nuclear hormone receptor	0.0041	0.0043	0.0043
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0065	0.0065
Echinococcus multilocularis	lamin dm0	0.0083	0.0156	0.0156
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0085	0.0161	0.0161
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0079	0.0145	0.0145
Echinococcus granulosus	Protein patched homolog 1	0.0085	0.0161	0.0161
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0033	0.0033
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0079	0.0145	0.0145
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0033	0.0033
Brugia malayi	Calcitonin receptor-like protein seb-1	0.025	0.06	0.06
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0318	0.0779	0.0779
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0041	0.0043	0.0043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.0043	0.0043
Schistosoma mansoni	high-affinity choline transporter	0.0357	0.0884	0.0884
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0256	0.5322
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.379	1	1
Schistosoma mansoni	sodium/solute symporter	0.0039	0.004	0.004
Echinococcus granulosus	neuropeptide receptor A26	0.0444	0.1114	0.1114
Brugia malayi	Sodium:solute symporter family protein	0.0039	0.004	0.004
Onchocerca volvulus		0.0041	0.0043	0.024
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0096	0.0096
Echinococcus granulosus	intermediate filament protein	0.0083	0.0156	0.0156
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0041	0.0043	0.0043
Echinococcus multilocularis	Niemann Pick C1 protein	0.0284	0.0688	0.0688
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0079	0.0145	0.0145
Echinococcus multilocularis	survival motor neuron protein 1	0.0955	0.247	0.247
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0108	0.0223	0.0223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0065	0.0065
Schistosoma mansoni	RAR-like nuclear receptor	0.0041	0.0043	0.0043
Brugia malayi	Niemann-Pick C1 protein precursor	0.0198	0.0462	0.0462
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.004	0.0042	0.0042
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0041	0.0043	0.0043
Schistosoma mansoni	patched 1	0.0085	0.0161	0.0161
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.006	0.0096	0.0096
Brugia malayi	Isocitrate dehydrogenase	0.0049	0.0065	0.0065
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0039	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0033
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0033	0.0033
Echinococcus multilocularis	solute carrier family 5	0.0039	0.004	0.004
Brugia malayi	jmjC domain containing protein	0.006	0.0096	0.0096
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0065	0.0065
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0041	0.0043	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.0043	0.0043
Schistosoma mansoni	intermediate filament proteins	0.0083	0.0156	0.0156
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0357	0.0884	0.0884
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0041	0.0043	0.0043
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0033	0.0033
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0041	0.0043	0.0043
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0256	0.5322
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0065	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.0043	0.0043
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0079	0.0145	0.0145
Brugia malayi	GH02984p	0.0357	0.0884	0.0884
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0049	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.0043	0.0043
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0079	0.0145	0.0145
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0152	0.0152
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0201	0.047	0.047
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0065	0.0065
Schistosoma mansoni	inositol transporter	0.0039	0.004	0.004
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0043	0.0043
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0198	0.0462	0.0245
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1316	0.3429	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0195	0.0452	0.0452
Schistosoma mansoni	hypothetical protein	0.0079	0.0145	0.0145
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.379	1	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0079	0.0145	0.0145

Activities

Activity type	Activity value	Assay description	Source	Reference
Clearance (ADMET)	= 3.3 mg kg-1 uM-1 hr-1	The clearance rate of the compound was determined in mature male rat at a intravenous dose of 3 mg/kg	ChEMBL.	12372506
Cmax (ADMET)	= 0.23 uM	The maximum plasma levels for the compounds were determined by LC-MS.	ChEMBL.	12372506
F (ADMET)	= 10 %	Oral bioavailability in rat (mature male) (dose 30 mg/kg)	ChEMBL.	12372506
IC50 (binding)	= 0.015 uM	Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor	ChEMBL.	12372506
IC50 (binding)	= 0.015 uM	Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor	ChEMBL.	12372506
Inhibition (binding)	= 7 %	Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor at 0.1 uM	ChEMBL.	12372506
Inhibition (binding)	= 7 %	Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor at 0.1 uM	ChEMBL.	12372506
Ki (binding)	0 uM	Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells	ChEMBL.	12372506
Ki (binding)	= 0.03 uM	Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells	ChEMBL.	12372506
Ki (binding)	= 0.03 uM	Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells	ChEMBL.	12372506
T1/2 (ADMET)	= 2.5 hr	Half life of the compound tested in mature male rat at a dose of 30 mg/kg	ChEMBL.	12372506
Urine osmolality (functional)	= 172 mOsmol kg-1	The Urine osmolality of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 10 mg/kg by oral route	ChEMBL.	12372506
Urine osmolality (functional)	= 238 mOsmol kg-1	The Urine osmolality of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 3 mg/kg by oral route	ChEMBL.	12372506
Urine osmolality (functional)	= 303 mOsmol kg-1	The Urine osmolality of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 1 mg/kg by oral route	ChEMBL.	12372506
Urine osmolality (functional)	= 408 mOsmol kg-1	The Urine osmolality of the compound was determined in 9 male Sprague-Dawley rats after 4 hrs at a dose of 0.3 mg/kg by oral route	ChEMBL.	12372506
Urine volume (functional)	= 1.4 ml	The diuretic effect of the compound was determined in 9 male Sprague-Dawley rats after 4 hrs at a dose of 0.3 mg/kg by oral route	ChEMBL.	12372506
Urine volume (functional)	= 3.4 ml	The diuretic effect of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 1 mg/kg by oral route	ChEMBL.	12372506
Urine volume (functional)	= 9.4 ml	The diuretic effect of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 3 mg/kg by oral route	ChEMBL.	12372506
Urine volume (functional)	= 19.5 ml	The diuretic effect of the compound was determined in 10 male Sprague-Dawley rats after 4 hrs at a dose of 10 mg/kg by oral route	ChEMBL.	12372506

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: CHEMBL319418
PubChem: 11757222

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 171366