TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 528.599 | Formula: C30H32N4O5
H donors: 3 H acceptors: 4 LogP: 3.97 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1ccccc1)OC[C@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)NC(=O)Nc1cccc(c1)C
InChi: 1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1
InChiKey: BYSPJTKARHNTCE-AREMUKBSSA-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	cholecystokinin B receptor	Starlite/ChEMBL	No references
Cavia porcellus	Cholecystokinin A receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Cholecystokinin A receptor	430 aa	395 aa	24.8 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Cholecystokinin A receptor	430 aa	363 aa	24.5 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Cholecystokinin A receptor	430 aa	381 aa	21.5 %
Echinococcus granulosus	biogenic amine 5HT receptor	Cholecystokinin A receptor	430 aa	428 aa	23.6 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	414 aa	23.4 %
Schistosoma mansoni	amine GPCR	Cholecystokinin A receptor	430 aa	409 aa	24.7 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Cholecystokinin A receptor	430 aa	375 aa	26.4 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	410 aa	25.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Cholecystokinin A receptor	430 aa	356 aa	27.5 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	383 aa	22.7 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	415 aa	23.1 %
Onchocerca volvulus	Forkhead box protein biniou homolog	Cholecystokinin A receptor	430 aa	353 aa	22.1 %
Echinococcus multilocularis	orexin receptor type 2	Cholecystokinin A receptor	430 aa	381 aa	23.6 %
Echinococcus multilocularis	serotonin receptor	Cholecystokinin A receptor	430 aa	427 aa	23.7 %
Echinococcus granulosus	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Echinococcus granulosus	orexin receptor type 2	Cholecystokinin A receptor	430 aa	383 aa	23.2 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Cholecystokinin A receptor	430 aa	373 aa	27.3 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Cholecystokinin A receptor	430 aa	373 aa	28.4 %
Schistosoma japonicum	FMRFamide receptor, putative	Cholecystokinin A receptor	430 aa	364 aa	22.8 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	397 aa	29.0 %
Echinococcus multilocularis	neuropeptides capa receptor	Cholecystokinin A receptor	430 aa	414 aa	19.8 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	398 aa	23.9 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Cholecystokinin A receptor	430 aa	378 aa	23.8 %
Onchocerca volvulus	Phospholipase d-related homolog	Cholecystokinin A receptor	430 aa	359 aa	20.9 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Cholecystokinin A receptor	430 aa	384 aa	21.4 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	382 aa	25.1 %
Echinococcus multilocularis	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Echinococcus granulosus	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.6 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Cholecystokinin A receptor	430 aa	402 aa	26.1 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	377 aa	22.3 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	405 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Nuclear hormone receptor-like 1	0.0056	0.0298	0.0545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0069	0.4355
Echinococcus granulosus	lamin dm0	0.0027	0.0032	0.0004
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.0536	0.1025
Loa Loa (eye worm)	acetylcholinesterase 1	0.0576	0.4997	1
Brugia malayi	nuclear receptor RXR	0.003	0.0058	0.0063
Brugia malayi	Carboxylesterase family protein	0.0197	0.1571	0.3107
Echinococcus granulosus	acetylcholinesterase	0.0576	0.4997	0.8343
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.0536	0.0851
Brugia malayi	polk-prov protein	0.0031	0.0069	0.0085
Schistosoma mansoni	hypothetical protein	0.0051	0.0254	0.0377
Echinococcus multilocularis	acetylcholinesterase	0.0576	0.4997	0.8343
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Brugia malayi	follicle stimulating hormone receptor	0.0235	0.1912	0.3793
Brugia malayi	orphan nuclear receptor NR2E1	0.0027	0.003	0.0005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0291	0.0531
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.0027	0.0027
Echinococcus granulosus	dna polymerase kappa	0.0041	0.0159	0.0217
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0056	0.0298	0.0545
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0056	0.0298	0.0545
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0056	0.0298	0.0545
Loa Loa (eye worm)	steroid hormone receptor	0.0056	0.0298	0.0545
Brugia malayi	hypothetical protein	0.0197	0.1571	0.3107
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0056	0.0298	0.0451
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0298	0.0545
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0056	0.0298	0.0451
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0359	0.0552
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0197	0.1571	0.2589
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0359	0.0552
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0359	0.0552
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0197	0.1571	0.2589
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0056	0.0298	0.0451
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0197	0.1571	1
Echinococcus granulosus	lamin	0.0027	0.0032	0.0004
Brugia malayi	nuclear receptor NHR-88	0.0027	0.003	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0056	0.0298	0.0545
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0159	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0154	0.1183	0.1937
Schistosoma mansoni	microtubule-associated protein tau	0.0685	0.5983	1
Brugia malayi	nuclear receptor NHR-88	0.0056	0.0298	0.0545
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0159	0.0159
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0056	0.0298	0.0451
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0159	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0197	0.1571	0.2589
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0056	0.0298	0.0545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0032	0.001
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Echinococcus granulosus	geminin	0.0168	0.1311	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0536	0.1025
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0298	0.0545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0056	0.0298	0.0545
Brugia malayi	intermediate filament protein	0.0027	0.0032	0.001
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0032	0.001
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0032	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0069	0.0085
Brugia malayi	sulfakinin receptor protein	0.0263	0.2164	0.43
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0298	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0056	0.0298	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Mycobacterium ulcerans	short chain dehydrogenase	0.0294	0.2449	0.2449
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0056	0.0298	0.1741
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.003	0.0058	0.0048
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0027	0.003	0.0005
Mycobacterium ulcerans	carboxylesterase, LipT	0.113	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0032	0.001
Brugia malayi	ecdysteroid receptor	0.0056	0.0298	0.0545
Brugia malayi	nuclear receptor RXR	0.0027	0.003	0.0005
Schistosoma mansoni	hypothetical protein	0.0036	0.0113	0.014
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0056	0.0298	0.0545
Schistosoma mansoni	nuclear hormone receptor	0.0056	0.0298	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0298	0.0545
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0197	0.1571	0.1571
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0576	0.4997	1
Brugia malayi	hypothetical protein	0.0263	0.2164	0.43
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0	0.5
Echinococcus multilocularis	neuroligin	0.0197	0.1571	0.2589
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0056	0.0298	0.0451
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0058	0.0063
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0159	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0113	0.014
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0056	0.0298	0.0451
Echinococcus granulosus	carboxylesterase 5A	0.0576	0.4997	0.8343
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0298	0.0545
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0056	0.0298	0.0451
Schistosoma mansoni	lamin	0.0027	0.0032	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0197	0.1571	0.2589
Leishmania major	cytochrome p450-like protein	0.0026	0.0027	1
Brugia malayi	hypothetical protein	0.003	0.0058	0.0063
Onchocerca volvulus		0.0197	0.1571	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0027	0.003	0.0005
Loa Loa (eye worm)	carboxylesterase	0.0197	0.1571	0.3107
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0159	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0113	0.014
Echinococcus multilocularis	acetylcholinesterase	0.0576	0.4997	0.8343
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.0536	0.0851
Onchocerca volvulus		0.0197	0.1571	1
Echinococcus multilocularis	lamin	0.0027	0.0032	0.0004
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0056	0.0298	0.0451
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0359	0.0667
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0027	0.003	0.0005
Echinococcus multilocularis	microtubule associated protein 2	0.0685	0.5983	1
Brugia malayi	Nuclear hormone receptor E75	0.0027	0.003	0.0005
Onchocerca volvulus	Protein ultraspiracle homolog	0.0056	0.0298	0.1741
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Mycobacterium leprae	conserved hypothetical protein	0.0023	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0056	0.0298	0.0451
Schistosoma mansoni	hypothetical protein	0.0168	0.1311	0.2152
Echinococcus granulosus	neuroligin	0.0197	0.1571	0.2589
Brugia malayi	TAR-binding protein	0.0063	0.0359	0.0667
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.0027	0.1706
Brugia malayi	conserved hypotetical protein	0.0027	0.003	0.0005
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0197	0.1571	0.2589
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0197	0.1571	0.2589
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0056	0.0298	0.0545
Schistosoma mansoni	hypothetical protein	0.0168	0.1311	0.2152
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0159	0.0159
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0159	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0027	0.003	0.0005
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0056	0.0298	0.0451
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0359	0.0667
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0058	0.0048
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0298	0.0451
Onchocerca volvulus	Bile acid receptor homolog	0.0056	0.0298	0.1741
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0359	0.0667
Echinococcus granulosus	ecdysone induced protein 78C	0.0056	0.0298	0.0451
Brugia malayi	nuclear receptor NHR-67	0.0027	0.003	0.0005
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0197	0.1571	0.2589
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Echinococcus granulosus	BC026374 protein S09 family	0.0197	0.1571	0.2589
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0298	0.0545
Brugia malayi	nuclear hormone receptor	0.0027	0.003	0.0005
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0359	0.0552
Echinococcus multilocularis	para nitrobenzyl esterase	0.0197	0.1571	0.2589
Onchocerca volvulus		0.0027	0.0032	0.0016
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0056	0.0298	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Schistosoma mansoni	lamin	0.0027	0.0032	0.0004
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0063
Onchocerca volvulus		0.0197	0.1571	1
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0069	0.4355
Trypanosoma brucei	unspecified product	0.0034	0.0099	0.6269
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0028	0.0001
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0027	0.003	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0056	0.0298	0.0545
Brugia malayi	nuclear hormone receptor	0.0056	0.0298	0.0545
Onchocerca volvulus		0.0197	0.1571	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Echinococcus multilocularis	musashi	0.0027	0.0032	0.0004
Brugia malayi	hypothetical protein	0.003	0.0058	0.0063
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0291	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Loa Loa (eye worm)	hypothetical protein	0.0576	0.4997	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0294	0.2449	0.2449
Brugia malayi	Carboxylesterase family protein	0.0576	0.4997	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.003	0.0058	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0298	0.0545
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0124	0.0914	0.1486
Onchocerca volvulus		0.0197	0.1571	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0159	1
Echinococcus granulosus	acetylcholinesterase	0.0576	0.4997	0.8343
Loa Loa (eye worm)	carboxylesterase	0.0197	0.1571	0.3107
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0032	0.001
Echinococcus multilocularis	ecdysone induced protein 78C	0.0056	0.0298	0.0451
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0359	0.0552
Onchocerca volvulus		0.0083	0.0536	0.3287
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0063
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0197	0.1571	0.1571
Brugia malayi	photoreceptor-specific nuclear receptor	0.0056	0.0298	0.0545
Loa Loa (eye worm)	nuclear hormone receptor	0.0027	0.003	0.0005
Brugia malayi	steroid hormone receptor	0.0056	0.0298	0.0545
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0063
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0298	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Brugia malayi	hypothetical protein	0.0027	0.003	0.0005
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0197	0.1571	0.2589
Brugia malayi	hypothetical protein	0.0036	0.0113	0.0173
Schistosoma mansoni	RAR-like nuclear receptor	0.0056	0.0298	0.0451
Brugia malayi	tailless protein	0.0027	0.003	0.0005
Schistosoma mansoni	acetylcholinesterase	0.0197	0.1571	0.2589
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0056	0.0298	0.0545
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0298	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Schistosoma mansoni	gliotactin	0.0197	0.1571	0.2589
Onchocerca volvulus		0.0056	0.0298	0.1741
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.003	0.0058	0.0048
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0298	0.0451
Brugia malayi	Carboxylesterase family protein	0.0197	0.1571	0.3107
Echinococcus granulosus	microtubule associated protein 2	0.0685	0.5983	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0032	0.0004
Brugia malayi	RNA binding protein	0.0063	0.0359	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Brugia malayi	Carboxylesterase family protein	0.0576	0.4997	1
Echinococcus multilocularis	geminin	0.0168	0.1311	0.2152
Trichomonas vaginalis	spcc417.12 protein, putative	0.0197	0.1571	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0056	0.0298	0.0545
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0032	0.0004
Brugia malayi	hypothetical protein	0.0027	0.003	0.0005
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0056	0.0298	0.0451
Brugia malayi	ecdysone receptor	0.0027	0.003	0.0005
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0027	0.003	0.0005
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0235	0.1912	0.3793
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.0536	0.0851
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0056	0.0298	0.0545
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.003	0.0058	0.0048
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0576	0.4997	0.8343
Echinococcus multilocularis	FTZ F1 alpha	0.0056	0.0298	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0263	0.2164	0.43
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1571	0.3107
Echinococcus multilocularis	carboxylesterase 5A	0.0576	0.4997	0.8343
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0359	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Brugia malayi	Carboxylesterase family protein	0.0197	0.1571	0.3107
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0154	0.1183	0.1937
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.0099	0.6269
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0056	0.0298	0.0451
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0113	0.014
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0058	0.0063
Loa Loa (eye worm)	carboxylesterase	0.0576	0.4997	1
Echinococcus granulosus	FTZ F1 alpha	0.0056	0.0298	0.0451
Schistosoma mansoni	coup transcription factor	0.0056	0.0298	0.0451
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0056	0.0298	0.0451
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0359	0.0667
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0056	0.0298	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0027	0.003	0.0005
Brugia malayi	Steroid receptor seven-up type 2	0.0056	0.0298	0.0545
Onchocerca volvulus		0.0027	0.0032	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0298	0.0545
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0298	0.0451
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0056	0.0298	0.0451
Loa Loa (eye worm)	DR-78	0.0027	0.003	0.0005
Schistosoma mansoni	BC026374 protein (S09 family)	0.0197	0.1571	0.2589
Echinococcus multilocularis	dna polymerase kappa	0.0041	0.0159	0.0217
Brugia malayi	Carboxylesterase family protein	0.0197	0.1571	0.3107
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0056	0.0298	0.0545
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0359	0.0552

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 120 nM	Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue	ChEMBL.	No reference
IC50 (binding)	= 120 nM	Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue	ChEMBL.	No reference
IC50 (binding)	= 290 nM	Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue	ChEMBL.	No reference
IC50 (binding)	= 290 nM	Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue	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: CHEMBL103312

Bibliographic References

No literature references available for this target.

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Detailed information for compound 169134