TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 736.815 | Formula: C36H48N8O9
H donors: 9 H acceptors: 8 LogP: 1.4 Rotable bonds: 26
Rule of 5 violations (Lipinski): 3
SMILES: OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)N
InChi: 1S/C36H48N8O9/c1-36(2,3)53-35(52)44-27(18-22-20-40-24-14-8-7-13-23(22)24)32(49)41-25(15-9-10-16-39-34(38)51)31(48)43-28(19-29(45)46)33(50)42-26(30(37)47)17-21-11-5-4-6-12-21/h4-8,11-14,20,25-28,40H,9-10,15-19H2,1-3H3,(H2,37,47)(H,41,49)(H,42,50)(H,43,48)(H,44,52)(H,45,46)(H3,38,39,51)/t25-,26-,27-,28-/m0/s1
InChiKey: JLFBZRXGVZBQNU-LJWNLINESA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	References
Cavia porcellus	Cholecystokinin A receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	hypothetical 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 granulosus	biogenic amine 5HT receptor	Cholecystokinin A receptor	430 aa	428 aa	23.6 %
Echinococcus multilocularis	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	382 aa	25.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	383 aa	22.7 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Cholecystokinin A receptor	430 aa	363 aa	24.5 %
Onchocerca volvulus	Phospholipase d-related homolog	Cholecystokinin A receptor	430 aa	359 aa	20.9 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Cholecystokinin A receptor	430 aa	395 aa	24.8 %
Echinococcus multilocularis	serotonin receptor	Cholecystokinin A receptor	430 aa	427 aa	23.7 %
Schistosoma mansoni	amine GPCR	Cholecystokinin A receptor	430 aa	409 aa	24.7 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	377 aa	22.3 %
Schistosoma japonicum	FMRFamide receptor, putative	Cholecystokinin A receptor	430 aa	364 aa	22.8 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	398 aa	23.9 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	415 aa	23.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Cholecystokinin A receptor	430 aa	373 aa	28.4 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	414 aa	23.4 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Cholecystokinin A receptor	430 aa	402 aa	26.1 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	405 aa	24.2 %
Echinococcus multilocularis	orexin receptor type 2	Cholecystokinin A receptor	430 aa	381 aa	23.6 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Cholecystokinin A receptor	430 aa	381 aa	21.5 %
Echinococcus multilocularis	neuropeptides capa receptor	Cholecystokinin A receptor	430 aa	414 aa	19.8 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	410 aa	25.4 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Cholecystokinin A receptor	430 aa	375 aa	26.4 %
Echinococcus granulosus	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.3 %
Onchocerca volvulus	Forkhead box protein biniou homolog	Cholecystokinin A receptor	430 aa	353 aa	22.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Cholecystokinin A receptor	430 aa	356 aa	27.5 %
Echinococcus granulosus	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.6 %
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	peptide (FMRFamide/somatostatin)-like receptor	Cholecystokinin A receptor	430 aa	384 aa	21.4 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Cholecystokinin A receptor	430 aa	378 aa	23.8 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	397 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	heat shock protein 90	0.1442	1	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0294	0.1894	0.2013
Trichomonas vaginalis	receptor histidine kinase, putative	0.0294	0.1894	0.1883
Leishmania major	heat shock protein 83-1	0.1442	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1442	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0051	0.0037
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0294	0.1894	0.2013
Brugia malayi	SWIRM domain containing protein	0.0033	0.0051	0.0024
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0078	0.0373	0.0324
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0385	0.254	0.2506
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0294	0.1894	0.1883
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0294	0.1894	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0078	0.0373	0.0382
Trichomonas vaginalis	receptor histidine kinase, putative	0.0294	0.1894	0.1883
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0294	0.1894	0.2318
Echinococcus multilocularis	endoplasmin	0.1148	0.7927	0.7921
Plasmodium vivax	heat shock protein, putative	0.0591	0.3992	0.3759
Brugia malayi	sulfakinin receptor protein	0.0261	0.1665	0.1642
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0029	0.0027	0.0027
Echinococcus multilocularis	heat shock protein 90	0.1148	0.7927	0.7921
Leishmania major	heat shock protein 83-1	0.1442	1	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0294	0.1894	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0001	0.0001
Leishmania major	mitochondrial DNA topoisomerase II	0.0294	0.1894	0.1834
Schistosoma mansoni	amine oxidase	0.0078	0.0373	0.0329
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0294	0.1894	0.2318
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0078	0.0373	0.0382
Leishmania major	DNA topoisomerase ii	0.0294	0.1894	0.1834
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Mycobacterium ulcerans	two component sensor kinase MprB	0.0294	0.1894	0.2318
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0294	0.1894	0.2013
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0294	0.1894	0.2013
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.1148	0.7927	1
Echinococcus granulosus	heat shock protein 90	0.1442	1	1
Entamoeba histolytica	DNA topoisomerase II, putative	0.0294	0.1894	0.1852
Brugia malayi	hypothetical protein	0.0078	0.0373	0.0347
Trichomonas vaginalis	heat shock protein, putative	0.1148	0.7927	0.7924
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0073	0.0073
Mycobacterium ulcerans	heat shock protein 90	0.1148	0.7927	1
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0294	0.1894	0.1872
Leishmania major	heat shock protein 83-1	0.1442	1	1
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0294	0.1894	0.1834
Mycobacterium ulcerans	oxidoreductase	0.0078	0.0373	0.0382
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0294	0.1894	0.1579
Loa Loa (eye worm)	hypothetical protein	0.0385	0.254	0.254
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0294	0.1894	0.1883
Echinococcus granulosus	endoplasmin	0.1148	0.7927	0.7921
Plasmodium falciparum	heat shock protein 90, putative	0.0591	0.3992	0.3759
Trypanosoma cruzi	heat shock protein 90, putative	0.1148	0.7927	0.7912
Brugia malayi	hypothetical protein	0.0261	0.1665	0.1642
Leishmania major	heat shock protein 83-1	0.1442	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0294	0.1894	0.1579
Echinococcus granulosus	heat shock protein	0.1442	1	1
Schistosoma mansoni	DNA topoisomerase II	0.0294	0.1894	0.1856
Mycobacterium ulcerans	dehydrogenase	0.0078	0.0373	0.0382
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.1148	0.7927	1
Loa Loa (eye worm)	hypothetical protein	0.0294	0.1894	0.1894
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0294	0.1894	0.1834
Loa Loa (eye worm)	hypothetical protein	0.0385	0.254	0.254
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0078	0.0373	0.0302
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0294	0.1894	0.2318
Toxoplasma gondii	Hsp90 domain-containing protein	0.0591	0.3992	0.3961
Trypanosoma brucei	Heat shock protein 83, putative	0.1442	1	1
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0294	0.1894	0.1883
Trichomonas vaginalis	heat shock protein, putative	0.1442	1	1
Leishmania major	heat shock protein 83-1	0.1442	1	1
Leishmania major	heat shock protein 83-1	0.1442	1	1
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0294	0.1894	0.2318
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0294	0.1894	0.2013
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0294	0.1894	0.1872
Plasmodium vivax	DNA topoisomerase II, putative	0.0294	0.1894	0.1579
Schistosoma mansoni	heat shock protein	0.0591	0.3992	0.3964
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0591	0.3992	0.3961
Trichomonas vaginalis	heat shock protein, putative	0.0885	0.6065	0.6059
Schistosoma mansoni	amine oxidase	0.0078	0.0373	0.0329
Mycobacterium ulcerans	putative regultory protein	0.0294	0.1894	0.2318
Trypanosoma cruzi	heat shock protein 90, putative	0.0851	0.5829	0.5798
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0294	0.1894	0.1872
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0078	0.0373	0.0347
Trypanosoma cruzi	heat shock protein 85, putative	0.1442	1	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0078	0.0373	0.0347
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0073	0.0073
Brugia malayi	amine oxidase, flavin-containing family protein	0.0111	0.0603	0.0578
Echinococcus multilocularis	SWI:SNF complex subunit SMARCC2	0.0033	0.0051	0.0024
Leishmania major	heat shock protein 83-1	0.1442	1	1
Leishmania major	heat shock protein 83-1	0.1442	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.1442	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1148	0.7927	0.7912
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Loa Loa (eye worm)	heat shock protein 90	0.1442	1	1
Trypanosoma brucei	heat shock protein 84, putative	0.0591	0.3992	0.3947
Plasmodium vivax	heat shock protein 90, putative	0.0591	0.3992	0.3759
Onchocerca volvulus		0.0418	0.2771	0.4179
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0373	0.0373
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0294	0.1894	0.2013
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Mycobacterium ulcerans	monoamine oxidase	0.0078	0.0373	0.0382
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.1148	0.7927	1
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Brugia malayi	SWIRM domain containing protein	0.0418	0.2771	0.2751
Brugia malayi	Probable DNA topoisomerase II	0.0294	0.1894	0.1872
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0078	0.0373	0.0302
Leishmania major	heat shock protein 83-1	0.1442	1	1
Leishmania major	UDP-galactopyranose mutase	0.0078	0.0373	0.0302
Giardia lamblia	Grp94/Hsp90	0.1148	0.7927	0.7916
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0294	0.1894	0.2318
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.1148	0.7927	0.7921
Loa Loa (eye worm)	endoplasmin	0.1442	1	1
Leishmania major	hypothetical protein, conserved	0.0294	0.1894	0.1834
Trichomonas vaginalis	heat shock protein, putative	0.1148	0.7927	0.7924
Trypanosoma cruzi	heat shock protein 85, putative	0.1442	1	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0591	0.3992	0.3975
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0294	0.1894	0.2013
Loa Loa (eye worm)	CYP4Cod1	0.0036	0.0073	0.0073
Trypanosoma cruzi	Heat shock protein 83, putative	0.1442	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0078	0.0373	0.0382
Schistosoma mansoni	pyruvate dehydrogenase	0.0294	0.1894	0.1856
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0294	0.1894	0.1834
Trypanosoma brucei	heat shock protein 90, putative	0.1442	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.1442	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.1442	1	1
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0294	0.1894	0.1852
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0591	0.3992	1
Trypanosoma cruzi	heat shock protein 90, putative	0.1442	1	1
Schistosoma mansoni	endoplasmin	0.1442	1	1
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0294	0.1894	0.1883
Loa Loa (eye worm)	hypothetical protein	0.0294	0.1894	0.1894
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0294	0.1894	0.2013
Plasmodium falciparum	endoplasmin, putative	0.0885	0.6065	0.5912
Treponema pallidum	heat shock protein 90	0.1148	0.7927	1
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0294	0.1894	0.2013
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0294	0.1894	0.1872
Schistosoma mansoni	heat shock protein	0.1442	1	1
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0294	0.1894	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0294	0.1894	0.1894
Toxoplasma gondii	heat shock protein 75, putative	0.0591	0.3992	0.3961
Leishmania major	heat shock protein, putative	0.0591	0.3992	0.3947
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0591	0.3992	0.3975
Leishmania major	heat shock protein 83-1	0.1442	1	1
Plasmodium vivax	endoplasmin, putative	0.1442	1	1
Plasmodium falciparum	DNA topoisomerase 2	0.0294	0.1894	0.1579
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0294	0.1894	0.1834
Toxoplasma gondii	heat shock protein HSP90	0.1442	1	1
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0294	0.1894	0.2318
Schistosoma mansoni	SWI/SNF complex-related	0.0033	0.0051	0.0005
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0294	0.1894	0.2318
Trichomonas vaginalis	heat shock protein, putative	0.0591	0.3992	0.3983
Leishmania major	heat shock protein 83-1	0.1442	1	1
Brugia malayi	Hsp90 protein	0.0591	0.3992	0.3975
Brugia malayi	kinase, mitochondrial precursor	0.0294	0.1894	0.1872
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.1148	0.7927	0.7912
Mycobacterium ulcerans	DNA gyrase subunit B	0.0294	0.1894	0.2318
Trichomonas vaginalis	sensor histidine kinase, putative	0.0294	0.1894	0.1883
Echinococcus granulosus	heat shock protein 90	0.1148	0.7927	0.7921
Plasmodium falciparum	heat shock protein 90	0.1442	1	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0385	0.254	0.252
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0603	0.0603
Leishmania major	heat shock protein 83-1	0.1442	1	1
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0294	0.1894	0.1883
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0294	0.1894	0.2318
Entamoeba histolytica	heat shock protein 90, putative	0.1442	1	1
Echinococcus granulosus	SWI:SNF complex subunit SMARCC2	0.0033	0.0051	0.0024
Plasmodium falciparum	DNA gyrase subunit B	0.0294	0.1894	0.1579
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0294	0.1894	0.1834
Echinococcus multilocularis		0.0078	0.0373	0.0347
Loa Loa (eye worm)	heat shock protein 75	0.0591	0.3992	0.3992
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0294	0.1894	0.1852
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0294	0.1894	0.2013
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1148	0.7927	0.7916
Loa Loa (eye worm)	hypothetical protein	0.0418	0.2771	0.2771
Leishmania major	heat shock protein 83-1	0.1442	1	1
Trichomonas vaginalis	endoplasmin, putative	0.0885	0.6065	0.6059
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0078	0.0373	0.0329
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0294	0.1894	0.1852
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Leishmania major	heat shock protein 83-1	0.1442	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0294	0.1894	1
Plasmodium falciparum	heat shock protein 90, putative	0.0591	0.3992	0.3759
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0294	0.1894	0.1834
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0294	0.1894	0.1834
Toxoplasma gondii	histone lysine-specific demethylase	0.0078	0.0373	0.0324
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0294	0.1894	0.2013
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0294	0.1894	0.1834
Giardia lamblia	Pms1-like protein	0.0294	0.1894	0.1852
Mycobacterium leprae	Probable two-component sensor kinase	0.0294	0.1894	0.2013
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0294	0.1894	0.1834
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0294	0.1894	0.1872
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0051	0.0037
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0294	0.1894	0.1834
Mycobacterium tuberculosis	Conserved protein	0.0294	0.1894	0.2013
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0294	0.1894	0.1834
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1442	1	1
Leishmania major	heat shock protein 83-1	0.1442	1	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0385	0.254	0.252
Trypanosoma brucei	DNA topoisomerase ii	0.0294	0.1894	0.1834
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0073	0.0046
Echinococcus multilocularis	heat shock protein 90	0.1442	1	1
Schistosoma mansoni	heat shock protein	0.1442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0373	0.0373
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0294	0.1894	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0261	0.1665	0.1665
Trypanosoma brucei	heat shock protein, putative	0.1442	1	1
Schistosoma mansoni	endoplasmin	0.1442	1	1
Plasmodium vivax	DNA gyrase subunit B, putative	0.0294	0.1894	0.1579
Trypanosoma cruzi	heat shock protein, putative	0.0591	0.3992	0.3947
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0051	0.0051
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0294	0.1894	0.1872
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0294	0.1894	0.2013
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0294	0.1894	0.2013
Plasmodium vivax	heat shock protein 86, putative	0.1442	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0294	0.1894	0.1872
Leishmania major	heat shock protein 83-1	0.1442	1	1
Echinococcus multilocularis	heat shock protein	0.1442	1	1
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0294	0.1894	0.1852
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0294	0.1894	0.1883
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0294	0.1894	0.2013
Loa Loa (eye worm)	TOPoisomerase family member	0.0294	0.1894	0.1894
Chlamydia trachomatis	DNA gyrase subunit B	0.0294	0.1894	1
Trichomonas vaginalis	heat shock protein, putative	0.1148	0.7927	0.7924
Leishmania major	heat shock protein 83-1	0.1442	1	1
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0073	0.0046

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1000 nM	Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand	ChEMBL.	1716682
IC50 (binding)	= 12000 nM	Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand	ChEMBL.	1716682
Selectivity (functional)	= 0.083	Selectivity ratio of IC50 measured in guinea pig cortex to that of IC50 for guinea pig pancreas	ChEMBL.	1716682

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: CHEMBL3142686

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1851768