TDR Targets

Basic information

Technical information

TDR Targets ID: 512897
Name: 3-[(E)-(9-methoxy-6-piperazin-1-ylindeno[1,2- c]quinolin-11-ylidene)amino]oxy-N,N-dimethylp ropan-1-amine
MW: 445.557 | Formula: C26H31N5O2
H donors: 1 H acceptors: 1 LogP: 4.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)/C(=N\OCCCN(C)C)/c1c2c(nc2c1cccc2)N1CCNCC1
InChi: 1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3/b29-25+
InChiKey: PNUJPTIHYOIYLV-XLVZBRSZSA-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

3-[(E)-(9-methoxy-6-piperazin-1-yl-indeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethyl-propan-1-amine
3-[(E)-[9-methoxy-6-(1-piperazinyl)-11-indeno[1,2-c]quinolinylidene]amino]oxy-N,N-dimethyl-1-propanamine
3-[(E)-(9-methoxy-6-piperazino-indeno[1,2-c]quinolin-11-ylidene)amino]oxypropyl-dimethyl-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	topoisomerase (DNA) I	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Neospora caninum	hypothetical protein	Get druggable targets OG5_127702	All targets in OG5_127702
Leishmania mexicana	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Trypanosoma brucei	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Leishmania donovani	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Plasmodium knowlesi	topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Plasmodium berghei	topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Trypanosoma brucei gambiense	DNA topoisomerase IB, large subunit, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Brugia malayi	DNA topoisomerase I	Get druggable targets OG5_127702	All targets in OG5_127702
Plasmodium yoelii	Eukaryotic DNA topoisomerase I, DNA binding, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Echinococcus multilocularis	DNA topoisomerase 1	Get druggable targets OG5_127702	All targets in OG5_127702
Candida albicans	likely DNA topoisomerase I similar to S. cerevisiae TOP1 (YOL006C)	Get druggable targets OG5_127702	All targets in OG5_127702
Cryptosporidium parvum	eukaryotic DNA topoisomerase I	Get druggable targets OG5_127702	All targets in OG5_127702
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Babesia bovis	DNA topoisomerase	Get druggable targets OG5_127702	All targets in OG5_127702
Leishmania major	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Schistosoma mansoni	DNA topoisomerase type I	Get druggable targets OG5_127702	All targets in OG5_127702
Candida albicans	likely DNA topoisomerase I similar to S. cerevisiae TOP1 (YOL006C)	Get druggable targets OG5_127702	All targets in OG5_127702
Toxoplasma gondii	DNA topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Schistosoma japonicum	IPR011010,DNA breaking-rejoining enzyme, catalytic core,domain-containing	Get druggable targets OG5_127702	All targets in OG5_127702
Schistosoma japonicum	ko:K03163 DNA topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Cryptosporidium hominis	DNA topoisomerase I	Get druggable targets OG5_127702	All targets in OG5_127702
Plasmodium falciparum	topoisomerase I	Get druggable targets OG5_127702	All targets in OG5_127702
Echinococcus granulosus	DNA topoisomerase 1	Get druggable targets OG5_127702	All targets in OG5_127702
Schistosoma mansoni	DNA topoisomerase type I	Get druggable targets OG5_127702	All targets in OG5_127702
Theileria parva	DNA topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702
Schistosoma mansoni	DNA topoisomerase type I	Get druggable targets OG5_127702	All targets in OG5_127702
Loa Loa (eye worm)	DNA topoisomerase I	Get druggable targets OG5_127702	All targets in OG5_127702
Leishmania infantum	DNA topoisomerase IB, large subunit	Get druggable targets OG5_127702	All targets in OG5_127702
Plasmodium vivax	topoisomerase I, putative	Get druggable targets OG5_127702	All targets in OG5_127702

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	0.0031	0.0265	0.0979
Echinococcus multilocularis	ubiquitin specific protease 41	0.0043	0.0412	0.0412
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0398	0.0793
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0153	0.0153
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0043	0.0412	0.0378
Trypanosoma brucei	glucosidase, putative	0.0042	0.04	0.1735
Schistosoma mansoni	cpg binding protein	0.0035	0.0315	0.0281
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.019	0.2261	0.8337
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0061	0.0061
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0153	0.0455
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0668	0.1734
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Trypanosoma cruzi	DNA polymerase eta, putative	0.0052	0.0527	0.238
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0153	0.0153
Leishmania major	hypothetical protein, conserved	0.0029	0.024	0.0893
Schistosoma mansoni	cpg binding protein	0.0034	0.0291	0.0257
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0331	0.0371
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0398	0.0793
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0398	0.0398
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Toxoplasma gondii	ABC1 family protein	0.0042	0.0398	0.0641
Onchocerca volvulus		0.0031	0.0265	0.1672
Brugia malayi	ImpB/MucB/SamB family protein	0.0052	0.0527	0.1737
Onchocerca volvulus		0.0042	0.0398	0.2791
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0153	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0258	0.0952
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.04	0.9648
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0153	0.0324
Echinococcus multilocularis	lamin dm0	0.0031	0.0265	0.0265
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0398	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0398	0.9585
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0398	0.1468
Plasmodium falciparum	topoisomerase I	0.0226	0.2712	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.019	0.2261	0.2261
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0398	0.9585
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0061	0.0223
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.0412	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0265	0.0979
Onchocerca volvulus		0.0034	0.0291	0.1889
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0042	0.04	0.065
Leishmania major	DNA polymerase eta, putative	0.0052	0.0527	0.238
Schistosoma mansoni	lamin	0.0031	0.0265	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0036	0.0036
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0043	0.0412	0.0412
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0398	0.9585
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.0412	0.0412
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0016	0.0067	0.0012
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.04	0.9648
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0398	0.1251
Brugia malayi	DNA topoisomerase I	0.0226	0.2712	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0398	0.1714
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0153	0.0118
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0153	0.0444
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0042	0.04	0.9648
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0043	0.0412	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0153	0.0444
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0082	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.04	0.1725
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0398	0.0364
Echinococcus granulosus	lamin	0.0031	0.0265	0.0265
Toxoplasma gondii	DNA topoisomerase I, putative	0.0226	0.2712	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0331	0.1368
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0398	0.0641
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0398	0.1714
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0527	0.1942
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.04	0.1259
Onchocerca volvulus		0.0031	0.0265	0.1672
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0265	0.0231
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0398	0.1468
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Echinococcus multilocularis	musashi	0.0031	0.0265	0.0265
Onchocerca volvulus		0.011	0.1253	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0412	0.1798
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.04	0.9648
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0153	0.0153
Brugia malayi	beta-lactamase	0.0042	0.0398	0.1251
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0265	0.0979
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0153	0.0455
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.04	0.04
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0412	0.1788
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0153	0.0444
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0036	0.0036
Echinococcus multilocularis	lamin	0.0031	0.0265	0.0265
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0057	0.0584	0.2676
Brugia malayi	beta-lactamase family protein	0.0042	0.0398	0.1251
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0398	0.0793
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0398	0.9585
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.04	0.9648
Echinococcus multilocularis	DNA topoisomerase 1	0.0226	0.2712	0.2712
Schistosoma mansoni	alpha-glucosidase	0.0164	0.1928	0.1899
Trichomonas vaginalis	esterase, putative	0.0042	0.0398	0.9585
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.04	0.9648
Loa Loa (eye worm)	DNA topoisomerase I	0.0226	0.2712	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0153	0.2481
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0082	0.0301
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0042	0.04	0.9648
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0398	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0153	0.2481
Echinococcus multilocularis	dnaJ subfamily B	0.0478	0.5874	0.5874
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.04	0.9648
Echinococcus granulosus	DNA topoisomerase 1	0.0226	0.2712	0.2712
Echinococcus multilocularis	microtubule associated protein 2	0.0806	1	1
Schistosoma mansoni	lamin	0.0031	0.0265	0.0231
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0398	0.1723
Schistosoma mansoni	DNA topoisomerase type I	0.0226	0.2712	0.2686
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0398	0.0793
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0398	0.0793
Schistosoma mansoni	cpg binding protein	0.0035	0.0315	0.0281
Echinococcus multilocularis	lysosomal alpha glucosidase	0.019	0.2261	0.2261
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.04	0.9648
Echinococcus granulosus	dnaJ subfamily B	0.0478	0.5874	0.5874
Trypanosoma brucei	DNA polymerase eta, putative	0.0052	0.0527	0.2389
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.0412	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0398	0.0398
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0398	1
Trypanosoma brucei	unspecified product	0.0023	0.0153	0.0455
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0057	0.0584	0.2684
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0043	0.0412	0.1788
Brugia malayi	hypothetical protein	0.0029	0.024	0.0652
Echinococcus granulosus	ubiquitin specific protease 41	0.0043	0.0412	0.0412
Schistosoma mansoni	hypothetical protein	0.0478	0.5874	0.5859
Echinococcus granulosus	dna polymerase eta	0.0052	0.0527	0.0527
Schistosoma mansoni	DNA topoisomerase type I	0.0169	0.1998	0.197
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.04	0.1476
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0398	0.9585
Loa Loa (eye worm)	hypothetical protein	0.0029	0.024	0.0883
Schistosoma mansoni	DNA topoisomerase type I	0.0169	0.1998	0.197
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0043	0.0412	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Echinococcus granulosus	cpg binding protein	0.0035	0.0315	0.0315
Plasmodium vivax	topoisomerase I, putative	0.0226	0.2712	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0764	0.0731
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0291	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0053	0.0197
Brugia malayi	Glycosyl hydrolases family 31 protein	0.019	0.2261	0.8295
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0153	0.0118
Schistosoma mansoni	alpha-glucosidase	0.0164	0.1928	0.1899
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0153	0.2481
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.0412	0.0412
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.024	0.0893
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.024	0.0893
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0153	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0053	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0067	0.0248
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0153	0.0444
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0398	0.0793
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0153	0.0153
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0398	0.0793
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.3246	1
Echinococcus multilocularis	cpg binding protein	0.0035	0.0315	0.0315
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0398	0.0364
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0291	0.1073
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0265	0.0749
Onchocerca volvulus		0.0042	0.0398	0.2791
Leishmania major	alpha glucosidase II subunit, putative	0.0042	0.04	0.1725
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0412	0.1788
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.04	0.9648
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0398	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.0398	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0153	0.0455
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0043	0.0412	0.0412
Brugia malayi	intermediate filament protein	0.0031	0.0265	0.0749
Echinococcus granulosus	lysosomal alpha glucosidase	0.019	0.2261	0.2261
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0043	0.0412	1
Onchocerca volvulus		0.0042	0.0398	0.2791
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0169	0.1998	1
Echinococcus granulosus	lamin dm0	0.0031	0.0265	0.0265
Schistosoma mansoni	microtubule-associated protein tau	0.0806	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0412	0.1521
Echinococcus granulosus	intermediate filament protein	0.0031	0.0265	0.0265
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0169	0.1998	1
Leishmania major	DNA topoisomerase IB, large subunit	0.0169	0.1998	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0043	0.0412	0.1305
Schistosoma mansoni	DNA polymerase eta	0.0052	0.0527	0.0493
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.04	0.04
Brugia malayi	beta-lactamase family protein	0.0042	0.0398	0.1251
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0398	0.1468
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0153	0.0455
Leishmania major	DNA topoisomerase type IB small subunit	0.0057	0.0584	0.2676
Leishmania major	hypothetical protein, conserved	0.0042	0.0398	0.1714
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0412	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0398	0.0793
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0153	0.0444
Brugia malayi	hypothetical protein	0.0019	0.0108	0.0156
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.04	0.9648
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0398	0.0793
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.024	0.0903
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0398	0.0793
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0398	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0061	0.0061
Leishmania major	DNA polymerase eta, putative	0.0037	0.0331	0.1368
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.04	0.1725
Schistosoma mansoni	alpha glucosidase	0.0042	0.04	0.0366
Echinococcus multilocularis	dna polymerase eta	0.0052	0.0527	0.0527

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 1.5 %	Cell cycle arrest in human HeLa cells assessed as subG1 phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 1.5 %	Cell cycle arrest in human HeLa cells assessed as subG1 phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 3.9 %	Cell cycle arrest in human HeLa cells assessed as G1 phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 3.9 %	Cell cycle arrest in human HeLa cells assessed as G1 phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 5.9 %	Cell cycle arrest in human HeLa cells assessed as subG1 phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 5.9 %	Cell cycle arrest in human HeLa cells assessed as subG1 phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 10.8 %	Cell cycle arrest in human HeLa cells assessed as G1 phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 10.8 %	Cell cycle arrest in human HeLa cells assessed as G1 phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 15.3 %	Cell cycle arrest in human HeLa cells assessed as G2/M phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 15.3 %	Cell cycle arrest in human HeLa cells assessed as G2/M phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 17.2 %	Cell cycle arrest in human HeLa cells assessed as increase in DNA polyploidy at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 17.2 %	Cell cycle arrest in human HeLa cells assessed as increase in DNA polyploidy at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 19.8 %	Cell cycle arrest in human HeLa cells assessed as G2/M phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 19.8 %	Cell cycle arrest in human HeLa cells assessed as G2/M phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 21.8 %	Cell cycle arrest in human HeLa cells assessed as S phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 21.8 %	Cell cycle arrest in human HeLa cells assessed as S phase accumulation at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 50 %	Antiproliferative activity against human HeLa cells at 0.3 uM after 48 hrs by MTT assay	ChEMBL.	18180162
Activity (functional)	= 50 %	Antiproliferative activity against human HeLa cells at 0.3 uM after 48 hrs by MTT assay	ChEMBL.	18180162
Activity (functional)	= 50.8 %	Cell cycle arrest in human HeLa cells assessed as S phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 50.8 %	Cell cycle arrest in human HeLa cells assessed as S phase accumulation at 0.3 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 53.2 %	Cell cycle arrest in human HeLa cells assessed as increase in DNA polyploidy at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 53.2 %	Cell cycle arrest in human HeLa cells assessed as increase in DNA polyploidy at 1.0 uM after 24 hrs by flow cytometry	ChEMBL.	18180162
Activity (functional)	= 100 %	Antiproliferative activity against human HeLa cells at 1.0 uM after 48 hrs by MTT assay	ChEMBL.	18180162
Activity (functional)	= 100 %	Antiproliferative activity against human HeLa cells at 1.0 uM after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 6.43	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (functional)	= 0.37 uM	Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 0.37 uM	Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 0.37 uM	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (functional)	= 0.38 uM	Antiproliferative activity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 0.38 uM	Antiproliferative activity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 0.38 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (ADMET)	= 2.77 uM	Cytotoxicity against human Detroit 551 cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (functional)	= 2.95 uM	Antiproliferative activity against human SKHep cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 4.93 uM	Antiproliferative activity against human SAS cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 4.93 uM	Antiproliferative activity against human SAS cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 4.93 uM	Cytotoxicity against human SAS cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (functional)	= 5.28 uM	Antiproliferative activity against human PC3 cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 5.28 uM	Antiproliferative activity against human PC3 cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 5.28 uM	Cytotoxicity against human PC3 cells after 48 hrs by MTT assay	ChEMBL.	20662543
GI50 (functional)	= 6.84 uM	Antiproliferative activity against human AGS cells after 48 hrs by MTT assay	ChEMBL.	18180162
GI50 (functional)	= 6.84 uM	Antiproliferative activity against human AGS cells after 48 hrs by MTT assay	ChEMBL.	18180162
IC50 (functional)	= 0.38 uM	Anticancer activity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	21599000
IC50 (binding)	= 6.6 uM	Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis	ChEMBL.	20662543
Inhibition (binding)	= 70 %	Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel at 10 uM by electrophoresis	ChEMBL.	20662543

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21599000

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: CHEMBL258702
PubChem: 24939224

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 512897