TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.382 | Formula: C19H20N3O+
H donors: 1 H acceptors: 1 LogP: 4.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCc1cc2[n+](nc1CC)ccc1c2[nH]c2c1ccc(c2)OC
InChi: 1S/C19H19N3O/c1-4-12-10-18-19-15(8-9-22(18)21-16(12)5-2)14-7-6-13(23-3)11-17(14)20-19/h6-11H,4-5H2,1-3H3/p+1
InChiKey: DKBUXAKAQLFHAF-UHFFFAOYSA-O

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

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
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.007	0.0075
Brugia malayi	mbt repeat family protein	0.005	0.0052	0.0051
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0016	0.0012
Loa Loa (eye worm)	thymidylate synthase	0.5835	0.9379	1
Schistosoma mansoni	hypothetical protein	0.0022	0.0006	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0004	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.2776	0.4447	1
Schistosoma mansoni	loxhd1	0.0021	0.0004	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0379	0.0405
Echinococcus multilocularis	musashi	0.0028	0.0016	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0036	0.0039
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0004	0.0005
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0063	0.0063
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0052	0.0056
Leishmania major	cathepsin L-like protease	0.0062	0.007	0.0038
Schistosoma mansoni	hypothetical protein	0.0052	0.0054	0.0058
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.007	0.0038
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0032	0.0034
Onchocerca volvulus		0.0028	0.0016	0.0012
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0004	0.0005
Schistosoma mansoni	lipoxygenase	0.0124	0.0171	0.0182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0016	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0091	0.0097
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0032	0.003
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.0062	0.003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0049	0.0052
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.6221	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Brugia malayi	hypothetical protein	0.0253	0.0379	0.04
Loa Loa (eye worm)	hypothetical protein	0.0037	0.003	0.0032
Echinococcus multilocularis	lamin dm0	0.0028	0.0016	0.0017
Schistosoma mansoni	hypothetical protein	0.0165	0.0237	0.0252
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.6221	1	1
Brugia malayi	RNA binding protein	0.0062	0.007	0.007
Brugia malayi	Dihydrofolate reductase	0.1008	0.1596	0.1697
Echinococcus granulosus	zinc finger protein	0.0021	0.0004	0.0005
Loa Loa (eye worm)	RNA binding protein	0.0062	0.007	0.0075
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0052	0.0056
Schistosoma mansoni	rab6-interacting	0.0021	0.0004	0.0005
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0009	0.001
Schistosoma mansoni	lipoxygenase	0.0087	0.0111	0.0118
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.2776	0.4447	0.4429
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.007	0.0038
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0063	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0015	0.0016
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0032	0.0034
Echinococcus granulosus	tar DNA binding protein	0.0062	0.007	0.0075
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0004	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Brugia malayi	intermediate filament protein	0.0028	0.0016	0.0012
Echinococcus granulosus	geminin	0.0165	0.0237	0.0252
Brugia malayi	dihydrofolate reductase family protein	0.1008	0.1596	0.1697
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0032	0.0034
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0032	0.0034
Trypanosoma cruzi	major cysteine proteinase, putative	0.0048	0.0049	0.0017
Schistosoma mansoni	zinc finger protein	0.0021	0.0004	0.0005
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.6221	1	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0004	0.0005
Brugia malayi	thymidylate synthase	0.5835	0.9379	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.007	0.0075
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0052	0.0056
Brugia malayi	PHD-finger family protein	0.0026	0.0013	0.001
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0243	0.0363	0.0354
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0032	0.0028
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0052	0.0056
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.007	0.0038
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.007	0.0075
Echinococcus granulosus	thymidylate synthase	0.5835	0.9379	1
Echinococcus granulosus	RUN	0.0021	0.0004	0.0005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0049	0.0052
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0052	0.0056
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0049	0.0052
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0009	0.001
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0049	0.0047
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0079	0.0084
Brugia malayi	hypothetical protein	0.2776	0.4447	0.4739
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.007	0.0075
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0124	0.0171	0.0182
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0057	0.0061
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.0073	0.0077
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Onchocerca volvulus		0.0038	0.0032	0.003
Onchocerca volvulus		0.0038	0.0032	0.003
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.6221	1	1
Echinococcus multilocularis	dihydrofolate reductase	0.1008	0.1596	0.1701
Loa Loa (eye worm)	dihydrofolate reductase	0.1008	0.1596	0.1701
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0016	0.0017
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.1008	0.1596	0.1673
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.5835	0.9379	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0044	0.0046
Onchocerca volvulus		0.0028	0.0016	0.0012
Mycobacterium tuberculosis	Hypothetical protein	0.2776	0.4447	0.4723
Echinococcus granulosus	lamin	0.0028	0.0016	0.0017
Echinococcus granulosus	intermediate filament protein	0.0028	0.0016	0.0017
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.5835	0.9379	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.007	0.0075
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.007	0.0038
Brugia malayi	mbt repeat family protein	0.005	0.0052	0.0051
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0063	0.0068
Chlamydia trachomatis	dihydrofolate reductase	0.1008	0.1596	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0057	0.0056
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0032	0.0034
Brugia malayi	beta-lactamase family protein	0.0038	0.0032	0.003
Loa Loa (eye worm)	MBCTL1	0.0057	0.0063	0.0068
Schistosoma mansoni	dihydrofolate reductase	0.1008	0.1596	0.1701
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0063	0.0068
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.0379	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Brugia malayi	Bromodomain containing protein	0.004	0.0036	0.0034
Leishmania major	cathepsin L-like protease	0.0062	0.007	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0004	0.0005
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0016	0.0017
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0004	0.0005
Schistosoma mansoni	polycystin 1-related	0.0021	0.0004	0.0005
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0004	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0004	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0057	0.0056
Echinococcus granulosus	dihydrofolate reductase	0.1008	0.1596	0.1701
Onchocerca volvulus		0.5835	0.9379	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0001	0.0001
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0052	0.0056
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0054	0.0053
Loa Loa (eye worm)	hypothetical protein	0.005	0.0052	0.0056
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0063	0.0068
Schistosoma mansoni	lamin	0.0028	0.0016	0.0017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0049	0.0052
Brugia malayi	beta-lactamase	0.0038	0.0032	0.003
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0199	0.0291	0.031
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0063	0.0068
Echinococcus multilocularis	geminin	0.0165	0.0237	0.0252
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.1008	0.1596	0.1673
Echinococcus multilocularis	thymidylate synthase	0.5835	0.9379	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.6221	1	1
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0052	0.0056
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0049	0.0052
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0009	0.001
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0016	0.0017
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.0073	0.0077
Schistosoma mansoni	hypothetical protein	0.0021	0.0004	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.007	0.0075
Onchocerca volvulus		0.005	0.0052	0.0051
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.007	0.0075
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0049	0.0052
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.007	0.007
Mycobacterium ulcerans	thymidylate synthase	0.5835	0.9379	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.007	0.0075
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0063	0.0068
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0054	0.0058
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0049	0.0052
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0032	0.0034
Leishmania major	cathepsin L-like protease	0.0062	0.007	0.0038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0049	0.0052
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0199	0.0291	0.031
Echinococcus granulosus	lamin dm0	0.0028	0.0016	0.0017
Onchocerca volvulus		0.0038	0.0032	0.003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Schistosoma mansoni	lamin	0.0028	0.0016	0.0017
Brugia malayi	beta-lactamase family protein	0.0038	0.0032	0.003
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0124	0.0171	0.0182
Schistosoma mansoni	hypothetical protein	0.0306	0.0465	0.0496
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0006	0.0007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Brugia malayi	Bromodomain containing protein	0.0079	0.0099	0.0101
Schistosoma mansoni	hypothetical protein	0.0037	0.003	0.0032
Schistosoma mansoni	rab6-interacting	0.0021	0.0004	0.0005
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.003	0.0027
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0032	0.0034
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0004	0.0005
Echinococcus multilocularis	lamin	0.0028	0.0016	0.0017
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.5835	0.9379	1
Onchocerca volvulus		0.0052	0.0054	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0043	0.004	0.0043
Brugia malayi	TAR-binding protein	0.0062	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0165	0.0237	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0057	0.0061
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0032	0.0034
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0052	0.0051
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.1008	0.1596	0.1673
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.0379	0.0405
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0052	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0032	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.007	0.0038
Echinococcus multilocularis	RUN	0.0021	0.0004	0.0005

Activities

Activity type	Activity value	Assay description	Source	Reference
Concentration (functional)	= 5 uM	Cytotoxicity against L1210 leukaemia cells	ChEMBL.	12182872
Concentration (functional)	= 5 uM	Cytotoxicity against L1210 leukaemia cells	ChEMBL.	12182872
IC50 (functional)	= 2 uM	Inhibitory concentration required against L1210 leukaemia cells	ChEMBL.	12182872
IC50 (functional)	= 2 uM	Inhibitory concentration required against L1210 leukaemia cells	ChEMBL.	12182872
Treated cells (functional)	= 35 %	Effect of compound on L1210 cell cycle was determined and percent of treated cells in the G2M phase of L1210 leukaemia cells	ChEMBL.	12182872
Treated cells (functional)	= 35 %	Effect of compound on L1210 cell cycle was determined and percent of treated cells in the G2M phase of L1210 leukaemia cells	ChEMBL.	12182872

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	12182872

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

No external resources registered for this compound

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 143864