TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 415.531 | Formula: C25H29N5O
H donors: 3 H acceptors: 3 LogP: 4.33 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)[C@@H]1CC[C@H](CC1)CNc1nc(NCc2ccccc2)cc(n1)c1ccccc1
InChi: 1S/C25H29N5O/c26-24(31)21-13-11-19(12-14-21)17-28-25-29-22(20-9-5-2-6-10-20)15-23(30-25)27-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H2,26,31)(H2,27,28,29,30)/t19-,21-
InChiKey: UIENTHYMVFALRL-XUTJKUGGSA-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	valosin containing protein	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	valosin-containing protein homolog,Transitional endoplasmic reticulum ATPase, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Giardia lamblia	AAA family ATPase	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium vivax	cell division cycle ATPase, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Trypanosoma brucei	Valosin-containing protein	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium knowlesi	cell division cycle protein 48 homologue, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Cryptosporidium parvum	CDC48 like AAA ATPase ortholog	Get druggable targets OG5_126926	All targets in OG5_126926
Theileria parva	cell division cycle protein 48, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Schistosoma mansoni	cell division control protein 48 aaa family protein	Get druggable targets OG5_126926	All targets in OG5_126926
Cryptosporidium hominis	cell division cycle protein 48	Get druggable targets OG5_126926	All targets in OG5_126926
Babesia bovis	cell division cycle protein ATPase, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Neospora caninum	hypothetical protein	Get druggable targets OG5_126926	All targets in OG5_126926
Toxoplasma gondii	cell division protein CDC48AP	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium yoelii	cell division cycle protein 48 homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Leishmania braziliensis	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Leishmania mexicana	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	Get druggable targets OG5_126926	All targets in OG5_126926
Schistosoma japonicum	Transitional endoplasmic reticulum ATPase homolog 2, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Mycobacterium tuberculosis	Putative conserved ATPase	Get druggable targets OG5_126926	All targets in OG5_126926
Trypanosoma congolense	Valosin-containing protein, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Leishmania major	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Schistosoma mansoni	cell division control protein 48 aaa family protein	Get druggable targets OG5_126926	All targets in OG5_126926
Mycobacterium ulcerans	ATPase	Get druggable targets OG5_126926	All targets in OG5_126926
Toxoplasma gondii	transitional endoplasmic reticulum ATPase, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium falciparum	cell division cycle protein 48 homologue, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Echinococcus granulosus	transitional endoplasmic reticulum atpase	Get druggable targets OG5_126926	All targets in OG5_126926
Theileria parva	cell division cycle protein 48, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Candida albicans	microsomal protein of CDC48 family of ATPases	Get druggable targets OG5_126926	All targets in OG5_126926
Leishmania donovani	Valosin-containing protein, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Babesia bovis	cell division control protein 48, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Entamoeba histolytica	transitional endoplasmic reticulum ATPase, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Loa Loa (eye worm)	VCP protein	Get druggable targets OG5_126926	All targets in OG5_126926
Entamoeba histolytica	cdc48-like protein, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium vivax	cell division cycle protein 48 homologue, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Plasmodium berghei	cell division cycle protein 48 homologue, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Neospora caninum	hypothetical protein	Get druggable targets OG5_126926	All targets in OG5_126926
Brugia malayi	transitional endoplasmic reticulum ATPase TER94, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Schistosoma japonicum	ko:K01509 adenosinetriphosphatase [EC3.6.1.3], putative	Get druggable targets OG5_126926	All targets in OG5_126926
Toxoplasma gondii	cell division protein CDC48CY	Get druggable targets OG5_126926	All targets in OG5_126926
Candida albicans	microsomal protein of CDC48 family of ATPases	Get druggable targets OG5_126926	All targets in OG5_126926
Trichomonas vaginalis	spermatogenesis associated factor, putative	Get druggable targets OG5_126926	All targets in OG5_126926
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	Get druggable targets OG5_126926	All targets in OG5_126926
Leishmania infantum	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	Get druggable targets OG5_126926	All targets in OG5_126926
Schistosoma mansoni	cell division control protein 48 aaa family protein	Get druggable targets OG5_126926	All targets in OG5_126926
Trypanosoma cruzi	Valosin-containing protein, putative	Get druggable targets OG5_126926	All targets in OG5_126926

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	0.0023	0.0329	0.0724
Echinococcus granulosus	transitional endoplasmic reticulum atpase	0.0034	0.0679	0.0487
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.023	0.0176
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.023	0.368
Entamoeba histolytica	cdc48-like protein, putative	0.0032	0.0624	1
Echinococcus granulosus	pikachurin	0.0024	0.0365	0.0167
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.023	0.0671
Toxoplasma gondii	cell division protein CDC48AP	0.002	0.0252	0.1053
Trichomonas vaginalis	spcc417.12 protein, putative	0.0023	0.0329	0.2678
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.023	0.0029
Echinococcus multilocularis	acetylcholinesterase	0.0136	0.3842	0.3808
Brugia malayi	Carboxylesterase family protein	0.0023	0.0329	0.0724
Echinococcus multilocularis	slit 2 protein	0.0024	0.0365	0.0312
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0201	0.0387
Entamoeba histolytica	transitional endoplasmic reticulum ATPase, putative	0.0032	0.0624	1
Onchocerca volvulus		0.0023	0.0329	0.2215
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0024	0.0365	0.0818
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0201	0.3225
Schistosoma mansoni	cell polarity protein	0.0024	0.0365	0.0312
Schistosoma mansoni	lipoxygenase	0.002	0.023	0.0176
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0329	0.0724
Schistosoma mansoni	polycystin 1-related	0.002	0.023	0.0176
Brugia malayi	vesicle-fusing ATPase	0.002	0.0239	0.0486
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0329	0.0276
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0329	0.0276
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0023	0.0329	0.2678
Brugia malayi	Carboxylesterase family protein	0.0023	0.0329	0.0724
Echinococcus granulosus	acetylcholinesterase	0.0136	0.3842	0.3716
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0329	0.0276
Brugia malayi	Doublecortin family protein	0.002	0.023	0.0462
Schistosoma mansoni	hypothetical protein	0.002	0.023	0.0176
Onchocerca volvulus		0.0023	0.0329	0.2215
Schistosoma mansoni	ap endonuclease	0.0019	0.0201	0.0147
Echinococcus multilocularis	neurogenic locus notch protein	0.0024	0.0365	0.0312
Schistosoma mansoni	rab6-interacting	0.002	0.023	0.0176
Loa Loa (eye worm)	vesicle-fusing ATPase	0.002	0.0239	0.0486
Trypanosoma cruzi	Valosin-containing protein, putative	0.0032	0.0624	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0023	0.0329	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3842	1
Schistosoma mansoni	hypothetical protein	0.0333	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0024	0.0365	0.0167
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0023	0.0329	0.013
Echinococcus granulosus	RUN	0.002	0.023	0.0029
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0329	1
Schistosoma mansoni	rab6-interacting	0.002	0.023	0.0176
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.023	0.0029
Echinococcus multilocularis	RUN	0.002	0.023	0.0176
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0024	0.0365	0.0312
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0023	0.0329	0.0276
Trypanosoma brucei	Valosin-containing protein	0.0032	0.0624	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3842	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0023	0.0329	0.013
Schistosoma mansoni	acetylcholinesterase	0.0023	0.0329	0.0276
Plasmodium vivax	cell division cycle protein 48 homologue, putative	0.0032	0.0624	1
Echinococcus granulosus	BC026374 protein S09 family	0.0023	0.0329	0.013
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0201	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.023	0.0176
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0034	0.0679	0.0627
Trichomonas vaginalis	spermatogenesis associated factor, putative	0.0034	0.0679	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Brugia malayi	hypothetical protein	0.0023	0.0329	0.0724
Schistosoma mansoni	loxhd1	0.002	0.023	0.0176
Brugia malayi	Carboxylesterase family protein	0.0023	0.0329	0.0724
Echinococcus granulosus	neuroligin	0.0023	0.0329	0.013
Brugia malayi	Carboxylesterase family protein	0.0136	0.3842	1
Echinococcus multilocularis	neuroligin	0.0023	0.0329	0.0276
Loa Loa (eye worm)	acetylcholinesterase 1	0.0136	0.3842	1
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0034	0.0679	0.0627
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	0.0034	0.0679	1
Echinococcus multilocularis	geminin	0.0333	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.023	0.0462
Echinococcus granulosus	acetylcholinesterase	0.0136	0.3842	0.3716
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.1336	0.1158
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0201	0.0387
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0023	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0818
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0201	0.0147
Loa Loa (eye worm)	carboxylesterase	0.0136	0.3842	1
Loa Loa (eye worm)	abnormal epIthelia family member	0.0024	0.0365	0.0818
Schistosoma mansoni	slit	0.0024	0.0365	0.0312
Brugia malayi	Carboxylesterase family protein	0.0023	0.0329	0.0724
Brugia malayi	laminin alpha chain	0.0024	0.0365	0.0818
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.023	0.0176
Toxoplasma gondii	transitional endoplasmic reticulum ATPase, putative	0.002	0.0252	0.1053
Mycobacterium ulcerans	ATPase	0.002	0.0252	0.3934
Echinococcus granulosus	carboxylesterase 5A	0.0136	0.3842	0.3716
Loa Loa (eye worm)	doublecortin family protein	0.002	0.023	0.0462
Brugia malayi	hypothetical protein	0.002	0.023	0.0462
Onchocerca volvulus		0.0023	0.0329	0.2215
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0329	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0818
Schistosoma mansoni	hypothetical protein	0.0333	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.023	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Brugia malayi	valosin containing protein	0.002	0.0239	0.0486
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0136	0.3842	0.3808
Echinococcus granulosus	slit 2 protein	0.0024	0.0365	0.0167
Toxoplasma gondii	cell division protein CDC48CY	0.0034	0.0679	1
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0024	0.0365	0.0818
Schistosoma mansoni	gliotactin	0.0023	0.0329	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.1336	0.1288
Brugia malayi	EGF-like domain containing protein	0.0024	0.0365	0.0818
Mycobacterium ulcerans	carboxylesterase, LipT	0.0023	0.0329	1
Mycobacterium tuberculosis	Putative conserved ATPase	0.002	0.0252	0.3934
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0032	0.0624	0.0572
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0023	0.0329	0.0276
Echinococcus multilocularis	acetylcholinesterase	0.0136	0.3842	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0818
Echinococcus multilocularis	para nitrobenzyl esterase	0.0023	0.0329	0.0276
Brugia malayi	Carboxylesterase family protein	0.0136	0.3842	1
Plasmodium falciparum	cell division cycle protein 48 homologue, putative	0.0032	0.0624	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0329	1
Giardia lamblia	AAA family ATPase	0.002	0.0252	1
Echinococcus multilocularis	pikachurin	0.0024	0.0365	0.0312
Schistosoma mansoni	ap endonuclease	0.0019	0.0201	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Schistosoma mansoni	laminin gamma-3 chain	0.0024	0.0365	0.0312
Brugia malayi	hypothetical protein	0.002	0.023	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0329	0.0724
Onchocerca volvulus		0.0023	0.0329	0.2215
Schistosoma mansoni	BC026374 protein (S09 family)	0.0023	0.0329	0.0276
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.023	0.0029
Leishmania major	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	0.0032	0.0624	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0201	0.5
Schistosoma mansoni	lipoxygenase	0.0055	0.1336	0.1288
Loa Loa (eye worm)	hypothetical protein	0.002	0.0239	0.0486
Onchocerca volvulus		0.0023	0.0329	0.2215
Echinococcus multilocularis	carboxylesterase 5A	0.0136	0.3842	0.3808

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.127 uM	Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP formation by NADH coupled assay	ChEMBL.	25474526

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: CHEMBL3361188

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 952775