TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 759.892 | Formula: C43H49N7O6
H donors: 4 H acceptors: 4 LogP: 5.16 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: O=C(COc1cccc(c1)C1=NC(NC(=O)Nc2cccc(c2)C)C(=O)N(c2c1cccc2)C)NCC(=O)NCCCOc1cccc(c1)CN1CCCCC1
InChi: 1S/C43H49N7O6/c1-30-12-8-15-33(24-30)46-43(54)48-41-42(53)49(2)37-19-5-4-18-36(37)40(47-41)32-14-10-17-35(26-32)56-29-39(52)45-27-38(51)44-20-11-23-55-34-16-9-13-31(25-34)28-50-21-6-3-7-22-50/h4-5,8-10,12-19,24-26,41H,3,6-7,11,20-23,27-29H2,1-2H3,(H,44,51)(H,45,52)(H2,46,48,54)
InChiKey: KBPBCEDQPUACDU-UHFFFAOYSA-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
Mus musculus	cholecystokinin B receptor	Starlite/ChEMBL	No references
Rattus norvegicus	Histamine H2 receptor	Starlite/ChEMBL	No references
Mus musculus	cholecystokinin A receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
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
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Histamine H2 receptor	358 aa	333 aa	24.6 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Histamine H2 receptor	358 aa	390 aa	30.5 %
Brugia malayi	ORL1-like opioid receptor	Histamine H2 receptor	358 aa	293 aa	24.6 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	327 aa	25.1 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	341 aa	32.3 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	372 aa	23.4 %
Echinococcus granulosus	neuropeptide receptor	Histamine H2 receptor	358 aa	291 aa	22.3 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	301 aa	21.9 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Histamine H2 receptor	358 aa	308 aa	25.0 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Histamine H2 receptor	358 aa	343 aa	24.5 %
Schistosoma mansoni	neuropeptide F-like receptor	Histamine H2 receptor	358 aa	293 aa	21.2 %
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Histamine H2 receptor	358 aa	343 aa	21.6 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Histamine H2 receptor	358 aa	324 aa	27.8 %
Echinococcus granulosus	allatostatin A receptor	Histamine H2 receptor	358 aa	389 aa	22.4 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Histamine H2 receptor	358 aa	330 aa	23.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Histamine H2 receptor	358 aa	368 aa	32.1 %
Echinococcus multilocularis	neuropeptide receptor	Histamine H2 receptor	358 aa	297 aa	22.6 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	Histamine H2 receptor	358 aa	307 aa	25.7 %
Schistosoma japonicum	Rhodopsin, putative	Histamine H2 receptor	358 aa	344 aa	22.1 %
Echinococcus multilocularis	allatostatin A receptor	Histamine H2 receptor	358 aa	367 aa	22.3 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Histamine H2 receptor	358 aa	302 aa	20.2 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	302 aa	21.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Histamine H2 receptor	358 aa	327 aa	23.5 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	306 aa	21.6 %
Schistosoma mansoni	opsin-like receptor	Histamine H2 receptor	358 aa	287 aa	22.3 %
Brugia malayi	GnHR receptor homolog	Histamine H2 receptor	358 aa	291 aa	20.3 %
Loa Loa (eye worm)	hypothetical protein	Histamine H2 receptor	358 aa	334 aa	24.6 %
Schistosoma mansoni	adenoreceptor	Histamine H2 receptor	358 aa	320 aa	27.8 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Histamine H2 receptor	358 aa	287 aa	23.0 %
Loa Loa (eye worm)	neuropeptide F receptor	Histamine H2 receptor	358 aa	290 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0154	0.1578	0.5323
Leishmania major	calcium motive p-type ATPase, putative	0.0058	0.0402	0.6925
Brugia malayi	Endoplasmin precursor	0.0032	0.008	0.0232
Trypanosoma brucei	Aph-1 protein, putative	0.0097	0.0871	1
Echinococcus granulosus	nervana 2	0.0266	0.2945	0.5905
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0266	0.2945	0.5905
Trypanosoma cruzi	plasma-membrane proton-efflux P-type ATPase, putative	0.0032	0.0077	0.0882
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0073	0.058	1
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0433	0.4988	1
Treponema pallidum	heat shock protein 90	0.0026	0	0.5
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0178	0.1865	0.3641
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0073	0.058	0.1163
Echinococcus granulosus	heat shock protein 90	0.0032	0.008	0.0161
Echinococcus multilocularis	nervana 2	0.0433	0.4988	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0115	0.0078
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0058	0.0402	0.0655
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0266	0.2945	0.5838
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0073	0.058	1
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.005	0.0294	0.0294
Trypanosoma cruzi	heat shock protein 90, putative	0.0032	0.008	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1296	0.2483
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0073	0.058	0.6657
Brugia malayi	calcium ATPase	0.0032	0.0077	0.0222
Schistosoma mansoni	ATPase	0.0073	0.058	0.1019
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0842	1	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.2955	0.5861
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0433	0.4988	1
Schistosoma mansoni	ATPase	0.0073	0.058	0.1019
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0073	0.058	0.1163
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0073	0.058	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0433	0.4988	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0032	0.008	0.0919
Loa Loa (eye worm)	calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0035	0.0115	0.0078
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.0027	0.0012	0.0134
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0058	0.0402	0.0805
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0433	0.4988	1
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0154	0.1578	0.1578
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0073	0.058	0.6319
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.008	0.1381
Brugia malayi	Membrane calcium atpase protein 3	0.0058	0.0402	0.1325
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0073	0.058	1
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0058	0.0402	0.461
Echinococcus multilocularis	heat shock protein 90	0.0032	0.008	0.0161
Brugia malayi	Probable calcium-transporting ATPase KIAA0703	0.0035	0.0115	0.0352
Echinococcus multilocularis	calcium transporting atpase	0.0058	0.0402	0.0805
Leishmania major	P-type H -ATPase, putative	0.0046	0.0255	0.44
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0073	0.058	0.1163
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Trypanosoma cruzi	Aph-1 protein, putative	0.0097	0.0871	1
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0073	0.058	0.6657
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0058	0.0402	0.6925
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Echinococcus granulosus	gamma secretase subunit aph 1	0.0248	0.2726	0.5466
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0058	0.0402	0.2382
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0073	0.058	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1865	0.3641
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Loa Loa (eye worm)	E1-E2 ATPase	0.0046	0.0255	0.0363
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0073	0.058	0.6319
Loa Loa (eye worm)	hypothetical protein	0.0433	0.4988	1
Loa Loa (eye worm)	hypothetical protein	0.0433	0.4988	1
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.0163	0.1686	1
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0163	0.1686	0.3381
Loa Loa (eye worm)	hypothetical protein	0.0073	0.058	0.1025
Echinococcus granulosus	calcium transporting atpase	0.0058	0.0402	0.0805
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0163	0.1686	0.3273
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0073	0.058	0.1163
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0058	0.0402	0.461
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0073	0.058	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0073	0.058	0.6319
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1254	0.2396
Brugia malayi	heat shock protein 90	0.0032	0.008	0.0232
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0046	0.0255	0.44
Brugia malayi	Sodium/potassium-transporting ATPase alpha-3 chain, putative	0.0032	0.0077	0.0222
Echinococcus multilocularis	nervana 2	0.0266	0.2945	0.5905
Plasmodium vivax	P-type ATPase4, putative	0.0073	0.058	1
Schistosoma mansoni	transmemberane protein	0.0433	0.4988	1
Toxoplasma gondii	P-type ATPase PMA1	0.0046	0.0255	0.3545
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0046	0.0255	0.2929
Trypanosoma brucei	P-type H+-ATPase, putative	0.0046	0.0255	0.2214
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0266	0.2945	0.5905
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Toxoplasma gondii	P-type ATPase4, putative	0.0073	0.058	1
Leishmania major	calcium-translocating P-type ATPase	0.0073	0.058	1
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0073	0.058	0.1163
Brugia malayi	E1-E2 ATPase family protein	0.0046	0.0255	0.0827
Plasmodium vivax	calcium-transporting ATPase, putative	0.0073	0.058	1
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0058	0.0402	0.6455
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0433	0.4988	1
Schistosoma mansoni	amine GPCR	0.0211	0.2264	0.4451
Onchocerca volvulus		0.0433	0.4988	1
Leishmania major	P-type H -ATPase, putative	0.0046	0.0255	0.44
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0248	0.2726	0.5466
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0163	0.1686	0.3381
Echinococcus granulosus	nervana 2	0.0433	0.4988	1
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.008	0.0064
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0046	0.0255	0.2929
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Echinococcus granulosus	nervana 2	0.0433	0.4988	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.008	0.0919
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0073	0.058	0.1163
Echinococcus multilocularis	heat shock protein	0.0032	0.008	0.0161
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Leishmania major	P-type ATPase, putative	0.0058	0.0402	0.6925
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0058	0.0402	0.0805
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0073	0.058	0.058
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0433	0.4988	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.008	0.0919
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.0032	0.0077	0.0882
Echinococcus granulosus	heat shock protein	0.0032	0.008	0.0161
Brugia malayi	Na,K-ATPase alpha subunit	0.0178	0.1865	0.6296
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0972	0.1822
Trypanosoma cruzi	Aph-1 protein, putative	0.0097	0.0871	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0433	0.4988	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0073	0.058	1
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Toxoplasma gondii	heat shock protein HSP90	0.0032	0.008	0.0064
Echinococcus multilocularis	nervana 2	0.0433	0.4988	1
Echinococcus multilocularis	nervana 2	0.0266	0.2945	0.5905
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0433	0.4988	1
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0058	0.0402	0.0805
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.008	0.0064
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0073	0.058	0.3439
Echinococcus granulosus	nervana 2	0.0266	0.2945	0.5905
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Onchocerca volvulus		0.0266	0.2945	0.3459
Brugia malayi	gamma-secretase subunit aph-1	0.0248	0.2726	0.9223
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Toxoplasma gondii	heat shock protein 90, putative	0.0032	0.008	0.0064
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.008	0.0919
Plasmodium falciparum	calcium-transporting ATPase	0.0058	0.0402	0.6433
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0073	0.058	0.6657
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0058	0.0402	0.0655
Brugia malayi	sulfakinin receptor protein	0.0267	0.2955	1
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0248	0.2726	0.5392
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.0041	0.019	0.2249
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0032	0.0077	0.0882
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0032	0.008	0.0475
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0178	0.1865	0.3637
Mycobacterium ulcerans	cation-transporter ATPase I CtpI	0.005	0.0294	0.0294
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0058	0.0402	0.0655
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0178	0.1865	0.1865
Brugia malayi	hypothetical protein	0.0267	0.2955	1
Mycobacterium ulcerans	proteasome PrcA	0.0842	1	1
Trypanosoma brucei	P-type H+-ATPase, putative	0.0046	0.0255	0.2214
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0058	0.0402	0.4065
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0058	0.0402	0.0805
Trypanosoma brucei	calcium-transporting ATPase, putative	0.0035	0.0115	0.0444
Schistosoma mansoni	hypothetical protein	0.005	0.0304	0.0456
Loa Loa (eye worm)	calcium ATPase	0.0041	0.019	0.023
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0058	0.0402	0.0655
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0154	0.1578	0.3057
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0248	0.2726	0.5395
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0058	0.0402	0.1325
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0266	0.2945	0.5838
Leishmania major	calcium-transporting ATPase, putative	0.0058	0.0402	0.6925
Loa Loa (eye worm)	endoplasmin	0.0032	0.008	0.0007
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0073	0.058	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0073	0.058	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0073	0.058	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0073	0.058	1
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0041	0.019	0.0606
Trypanosoma cruzi	calcium-transporting ATPase, putative	0.0035	0.0115	0.1322
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0041	0.019	0.2249
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0058	0.0402	0.0655
Loa Loa (eye worm)	heat shock protein 90	0.0032	0.008	0.0007
Leishmania major	heat shock protein 83-1	0.0032	0.008	0.1381
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0058	0.0402	0.4065

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 63 nM	Inhibitory activity against gastrin receptor	ChEMBL.	No reference
IC50 (binding)	= 63 nM	Inhibitory activity against gastrin receptor	ChEMBL.	No reference
IC50 (binding)	= 550 nM	Inhibitory activity against Cholecystokinin type B receptor	ChEMBL.	No reference
IC50 (binding)	= 550 nM	Inhibitory activity against Cholecystokinin type B receptor	ChEMBL.	No reference
IC50 (binding)	= 5200 nM	Inhibitory activity against Cholecystokinin type A receptor	ChEMBL.	No reference
IC50 (binding)	= 5200 nM	Inhibitory activity against Cholecystokinin type A receptor	ChEMBL.	No reference
Kd (functional)	= 6.3	Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats	ChEMBL.	No reference
pA2 (functional)	= 6.3	Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats	ChEMBL.	No reference
Ratio (binding)	= 82.5	Ratio of IC50(gastrin) to IC50(CCK-A)	ChEMBL.	No reference
Ratio (binding)	= 82.5	Ratio of IC50(gastrin) to IC50(CCK-A)	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: CHEMBL33819

Bibliographic References

No literature references available for this target.

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Detailed information for compound 43335