TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.944 | Formula: C22H29ClN4O2
H donors: 0 H acceptors: 2 LogP: 3.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1noc(c1C(=O)N1CCCC(C1)N1CCN(CC1)c1cccc(c1)Cl)C
InChi: 1S/C22H29ClN4O2/c1-3-20-21(16(2)29-24-20)22(28)27-9-5-8-19(15-27)26-12-10-25(11-13-26)18-7-4-6-17(23)14-18/h4,6-7,14,19H,3,5,8-13,15H2,1-2H3
InChiKey: HUIHQQAWHKTCOU-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	ring and YY1 binding protein	0.016	0.1525	0.1782
Onchocerca volvulus		0.0035	0.0193	0.0081
Onchocerca volvulus		0.0449	0.4617	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0193	0.0177
Trypanosoma cruzi	hypothetical protein, conserved	0.016	0.1525	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0449	0.4617	1
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.027	0.03
Echinococcus multilocularis	tumor protein p63	0.075	0.7844	0.784
Schistosoma mansoni	brg-1 associated factor	0.0449	0.4617	0.5433
Echinococcus multilocularis	zinc finger protein Ran binding	0.016	0.1525	0.1511
Trypanosoma cruzi	WLM domain containing protein, putative	0.016	0.1525	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.016	0.1525	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.016	0.1525	0.1782
Echinococcus multilocularis	lamin	0.0032	0.0157	0.0141
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0378	0.0818
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.016	0.1525	0.3304
Onchocerca volvulus		0.016	0.1525	0.3068
Echinococcus multilocularis	SWI:SNF matrix associated	0.0449	0.4617	0.4608
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0581	0.0667
Schistosoma mansoni	RNA binding protein	0.016	0.1525	0.1782
Echinococcus granulosus	zinc finger protein Ran binding	0.016	0.1525	0.1782
Trypanosoma cruzi	hypothetical protein, conserved	0.016	0.1525	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0581	0.0876
Leishmania major	hypothetical protein, conserved	0.016	0.1525	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0449	0.4617	0.4608
Echinococcus multilocularis	ring and YY1 binding protein	0.016	0.1525	0.1511
Echinococcus granulosus	microtubule associated protein 2	0.081	0.8483	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0449	0.4617	0.5433
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.016	0.1525	0.3304
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0193	0.0209
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0157	0.0341
Leishmania major	hypothetical protein, conserved	0.016	0.1525	1
Chlamydia trachomatis	DNA topoisomerase I	0.0449	0.4617	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0449	0.4617	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.016	0.1525	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.016	0.1525	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0017	0.0036
Entamoeba histolytica	hypothetical protein	0.0042	0.027	0.5
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.016	0.1525	0.3068
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0017	0.0036
Echinococcus granulosus	lamin	0.0032	0.0157	0.0166
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.016	0.1525	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0449	0.4617	0.5433
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.0445	0.0963
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0581	0.0667
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0449	0.4617	0.4608
Schistosoma mansoni	hypothetical protein	0.016	0.1525	0.1782
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.016	0.1525	0.3304
Onchocerca volvulus		0.016	0.1525	0.3068
Loa Loa (eye worm)	hypothetical protein	0.016	0.1525	0.3304
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0449	0.4617	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0193	0.0209
Schistosoma mansoni	cellular tumor antigen P53	0.011	0.0993	0.1153
Schistosoma mansoni	hypothetical protein	0.0042	0.027	0.03
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.0445	0.0963
Loa Loa (eye worm)	hypothetical protein	0.016	0.1525	0.3304
Echinococcus granulosus	tumor protein p63	0.075	0.7844	0.9245
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0246	0.0534
Brugia malayi	Pre-SET motif family protein	0.0244	0.2432	0.5267
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0217	0.047
Leishmania major	hypothetical protein, conserved	0.016	0.1525	1
Entamoeba histolytica	hypothetical protein	0.0042	0.027	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0581	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0581	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0581	1
Schistosoma mansoni	hypothetical protein	0.004	0.0246	0.0271
Echinococcus multilocularis	microtubule associated protein 2	0.081	0.8483	0.848
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0449	0.4617	1
Schistosoma mansoni	lamin	0.0032	0.0157	0.0166
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0193	0.0209
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0017	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0151	0.0327
Brugia malayi	Pre-SET motif family protein	0.0035	0.0193	0.0419
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.016	0.1525	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.027	0.0254
Trypanosoma cruzi	hypothetical protein, conserved	0.016	0.1525	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0449	0.4617	1
Onchocerca volvulus		0.016	0.1525	0.3068
Echinococcus granulosus	lamin dm0	0.0032	0.0157	0.0166
Loa Loa (eye worm)	brahma associated protein	0.0449	0.4617	1
Echinococcus multilocularis	lamin dm0	0.0032	0.0157	0.0141
Echinococcus multilocularis	musashi	0.0032	0.0157	0.0141
Chlamydia trachomatis	SWIB complex protein	0.0449	0.4617	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0449	0.4617	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.016	0.1525	0.3011
Trypanosoma brucei	hypothetical protein, conserved	0.016	0.1525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0449	0.4617	1
Toxoplasma gondii	ran binding protein	0.016	0.1525	0.3011
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0157	0.0341
Leishmania major	hypothetical protein, conserved	0.016	0.1525	1
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0378	0.0818
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.0445	0.0963
Brugia malayi	brahma associated protein 60 kDa	0.0449	0.4617	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0193	0.0177
Echinococcus multilocularis	SWI:SNF matrix associated	0.0449	0.4617	0.4608
Brugia malayi	intermediate filament protein	0.0032	0.0157	0.0341
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.016	0.1525	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.016	0.1525	1
Entamoeba histolytica	hypothetical protein	0.0042	0.027	0.5
Schistosoma mansoni	fusion	0.016	0.1525	0.1782
Schistosoma mansoni	zinc finger protein	0.016	0.1525	0.1782
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0581	0.0667
Loa Loa (eye worm)	hypothetical protein	0.004	0.0246	0.0534
Schistosoma mansoni	microtubule-associated protein tau	0.081	0.8483	1
Schistosoma mansoni	hypothetical protein	0.0449	0.4617	0.5433
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0581	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0449	0.4617	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0581	0.0565
Brugia malayi	hypothetical protein	0.0042	0.027	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0157	0.0341
Loa Loa (eye worm)	hypothetical protein	0.016	0.1525	0.3304
Echinococcus granulosus	intermediate filament protein	0.0032	0.0157	0.0166
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0244	0.2432	0.5267
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0193	0.0419
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.016	0.1525	0.3304
Loa Loa (eye worm)	hypothetical protein	0.016	0.1525	0.3304
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0157	0.0166
Onchocerca volvulus		0.011	0.0993	0.1875
Echinococcus granulosus	Zinc finger RanBP2 type	0.016	0.1525	0.1782
Trypanosoma brucei	hypothetical protein, conserved	0.016	0.1525	1
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0378	0.0818
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.027	0.03
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0157	0.0341
Loa Loa (eye worm)	CYP4Cod1	0.0052	0.0378	0.0818
Onchocerca volvulus		0.0278	0.2793	0.591
Loa Loa (eye worm)	hypothetical protein	0.011	0.0993	0.2151
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.016	0.1525	0.1511
Brugia malayi	YY1-associated factor 2	0.016	0.1525	0.3304
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0193	0.0209
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.016	0.1525	0.1511
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.018	0.0192
Brugia malayi	SWIB/MDM2 domain containing protein	0.0449	0.4617	1
Onchocerca volvulus		0.016	0.1525	0.3068
Loa Loa (eye worm)	hypothetical protein	0.016	0.1525	0.3304
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.016	0.1525	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0017	0.0036
Brugia malayi	brahma associated protein 60 kDa	0.0449	0.4617	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0378	0.0818
Schistosoma mansoni	hypothetical protein	0.0449	0.4617	0.5433
Leishmania major	hypothetical protein, conserved	0.016	0.1525	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0581	0.1772
Schistosoma mansoni	hypothetical protein	0.0449	0.4617	0.5433
Entamoeba histolytica	hypothetical protein	0.0042	0.027	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0193	0.0209
Schistosoma mansoni	TRABID protein (C64 family)	0.016	0.1525	0.1782
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0445	0.0963
Schistosoma mansoni	lamin	0.0032	0.0157	0.0166

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1903778

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1537849