TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.578 | Formula: C28H31N5O2
H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: NCCCN(C(c1nc2ncccc2c(=O)n1Cc1ccccc1)CC)C(=O)c1ccc(cc1)C
InChi: 1S/C28H31N5O2/c1-3-24(32(18-8-16-29)27(34)22-14-12-20(2)13-15-22)26-31-25-23(11-7-17-30-25)28(35)33(26)19-21-9-5-4-6-10-21/h4-7,9-15,17,24H,3,8,16,18-19,29H2,1-2H3
InChiKey: HOVNDQICBBHRRQ-UHFFFAOYSA-N

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

Species	Target name	Source	Bibliographic reference
Homo sapiens	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460

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
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0124	0.1797
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0018	0.0089	0.13
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.0353	0.3755
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.0332	0.4195
Schistosoma mansoni	ran	0.0022	0.0124	0.0276
Loa Loa (eye worm)	carboxylesterase	0.043	0.4471	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0147	0.2208
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0101	0.0226
Leishmania major	cathepsin L-like protease	0.002	0.0101	0.0197
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0124	0.0206
Onchocerca volvulus		0.002	0.0101	0.1088
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0353	0.0458
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.0666	0.149
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0041	0.0332	0.0742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Schistosoma mansoni	survival motor neuron protein	0.0056	0.0494	0.1104
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0943	0.2109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0101	0.1519
Entamoeba histolytica	hypothetical protein	0.0024	0.0147	0.417
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0341	0.0205
Leishmania major	cathepsin L-like protease	0.002	0.0101	0.0197
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0089	0.0089
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0101	0.2869
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0341	0.5121
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0101	0.0101
Plasmodium falciparum	importin beta, putative	0.0029	0.0206	0.2611
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0943	0.2109
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0315	0.3244	0.7236
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0202	0.2554
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0073	0.0666	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.4471	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0039	0.0304	0.0806
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1192	0.2614
Brugia malayi	Carboxylesterase family protein	0.0073	0.0666	0.149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Onchocerca volvulus		0.0042	0.0341	0.4873
Echinococcus granulosus	acetylcholinesterase	0.043	0.4471	1
Entamoeba histolytica	cysteine protease, putative	0.002	0.0101	0.2869
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0341	0.0943
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0688	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0018	0.0089	0.1131
Echinococcus multilocularis	kinesin family 1	0.0247	0.2528	0.2528
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1192	0.2614
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.0688	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0341	0.0763
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0089	0.02
Leishmania major	cathepsin L-like protease	0.0075	0.0688	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Schistosoma mansoni	kinesin eg-5	0.0032	0.0235	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0791	0.1709
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0202	0.2554
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0101	0.0226
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.0791	0.0791
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0101	0.128
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0124	0.1797
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0341	0.4961
Schistosoma mansoni	hypothetical protein	0.0198	0.2004	0.4482
Leishmania major	cathepsin L-like protease	0.002	0.0101	0.0197
Schistosoma mansoni	BC026374 protein (S09 family)	0.0073	0.0666	0.149
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0353	0.0458
Brugia malayi	cathepsin L-like precursor	0.0013	0.0032	0.0072
Schistosoma mansoni	hypothetical protein	0.0037	0.0284	0.0636
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0032	0.0072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Schistosoma mansoni	gliotactin	0.0073	0.0666	0.149
Brugia malayi	beta-lactamase family protein	0.0042	0.0341	0.0763
Onchocerca volvulus		0.002	0.0101	0.1088
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0341	0.4315
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Schistosoma mansoni	ran	0.0022	0.0124	0.0276
Entamoeba histolytica	hypothetical protein	0.0037	0.0284	0.8059
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0101	0.0226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0341	0.0943
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	1
Brugia malayi	Carboxylesterase family protein	0.0073	0.0666	0.149
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0124	0.0276
Schistosoma mansoni	hypothetical protein	0.0315	0.3244	0.7256
Echinococcus granulosus	cathepsin l1	0.0013	0.0032	0.0072
Loa Loa (eye worm)	acetylcholinesterase 1	0.043	0.4471	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0101	0.1088
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0124	0.1563
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0101	0.0155
Schistosoma mansoni	importin beta-1	0.0029	0.0206	0.0462
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0517	0.7525
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Plasmodium falciparum	kinesin-5	0.0032	0.0235	0.297
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Loa Loa (eye worm)	inositol-1	0.0043	0.0353	0.0722
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0101	0.2869
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0341	0.4961
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0235	0.0525
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0032	0.0483
Echinococcus granulosus	BC026374 protein S09 family	0.0073	0.0666	0.149
Onchocerca volvulus		0.0042	0.0341	0.4873
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0943	0.0943
Toxoplasma gondii	cathepsin CPL	0.002	0.0101	0.0168
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0089	0.13
Echinococcus granulosus	survival motor neuron protein 1	0.0277	0.284	0.6352
Loa Loa (eye worm)	ctsf protein	0.002	0.0101	0.0155
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0041	0.0332	0.2204
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0041	0.0332	0.0908
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0353	0.5295
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Echinococcus multilocularis	cysteine protease	0.002	0.0101	0.0101
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.0353	0.5295
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0206	0.3002
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0101	0.1519
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0089	0.02
Entamoeba histolytica	kinesin, putative	0.0032	0.0235	0.6658
Brugia malayi	hypothetical protein	0.0037	0.0284	0.0636
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	1
Trichomonas vaginalis	esterase, putative	0.0042	0.0341	0.5121
Echinococcus multilocularis	geminin	0.0198	0.2004	0.2004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0101	0.1472
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0341	0.4961
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0341	0.0205
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.0791	0.1768
Brugia malayi	Carboxylesterase family protein	0.0073	0.0666	0.149
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.0332	0.4195
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0101	0.1088
Loa Loa (eye worm)	carboxylesterase	0.0073	0.0666	0.1428
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0353	0.5295
Schistosoma mansoni	ap endonuclease	0.0041	0.0332	0.0742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0147	0.2208
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0341	0.2364
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0206	0.0393
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0341	0.0943
Echinococcus multilocularis	survival motor neuron protein 1	0.0277	0.284	0.284
Onchocerca volvulus		0.0073	0.0666	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Brugia malayi	exodeoxyribonuclease III family protein	0.0041	0.0332	0.0742
Onchocerca volvulus		0.002	0.0101	0.1088
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0353	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Brugia malayi	hypothetical protein	0.0277	0.284	0.6352
Toxoplasma gondii	ABC1 family protein	0.0042	0.0341	0.359
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0688	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0073	0.0666	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0089	0.02
Plasmodium vivax	vivapain-2	0.002	0.0101	0.128
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.0666	0.149
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.0791	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0032	0.0483
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0943	0.0943
Leishmania major	cysteine peptidase A (CPA)	0.002	0.0101	0.0197
Echinococcus multilocularis	cysteine protease	0.002	0.0101	0.0101
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0147	0.2139
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0101	0.0155
Entamoeba histolytica	Ran family GTPase	0.0022	0.0124	0.3503
Toxoplasma gondii	hypothetical protein	0.0029	0.0202	0.1604
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0206	0.0462
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0089	0.0089
Onchocerca volvulus		0.0073	0.0666	1
Onchocerca volvulus		0.0056	0.0494	0.7279
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0235	0.2074
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.0791	0.1768
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.043	0.4471	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0089	0.13
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0341	0.0943
Loa Loa (eye worm)	carboxylesterase	0.0073	0.0666	0.1428
Brugia malayi	Inositol-1	0.0043	0.0353	0.0789
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Onchocerca volvulus		0.002	0.0101	0.1088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0943	0.2109
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0206	0.0206
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0341	0.2364
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0032	0.0072
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0284	0.0636
Entamoeba histolytica	hypothetical protein	0.0037	0.0284	0.8059
Loa Loa (eye worm)	hypothetical protein	0.002	0.0101	0.0155
Echinococcus granulosus	neuroligin	0.0073	0.0666	0.149
Brugia malayi	hypothetical protein	0.0073	0.0666	0.149
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0101	0.0226
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0353	0.0789
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0073	0.0666	0.2161
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0284	0.0284
Entamoeba histolytica	hypothetical protein	0.0037	0.0284	0.8059
Echinococcus multilocularis	para nitrobenzyl esterase	0.0073	0.0666	0.0666
Brugia malayi	Probable ClpP-like protease	0.0084	0.0791	0.1768
Brugia malayi	Importin beta-1 subunit	0.0029	0.0206	0.0462
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0341	0.0943
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0341	0.0763
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0073	0.0666	0.149
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0353	0.0353
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0073	0.0666	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0277	0.284	0.6325
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0032	0.0072
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0341	0.0943
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0124	0.0487
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0341	0.5121
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0619	0.8997
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0341	0.0763
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0943	0.2109
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0353	0.5129
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0791	1
Echinococcus granulosus	geminin	0.0198	0.2004	0.4482
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0494	0.1104
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0341	0.0943
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0124	0.0276
Schistosoma mansoni	hypothetical protein	0.0198	0.2004	0.4482
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0124	0.0124
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0341	0.0943
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0341	0.0763
Giardia lamblia	Kinesin-5	0.0032	0.0235	0.5346
Brugia malayi	beta-lactamase	0.0042	0.0341	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Leishmania major	cathepsin L-like protease	0.0075	0.0688	1
Brugia malayi	Carboxylesterase family protein	0.043	0.4471	1
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0481	0.1076
Onchocerca volvulus		0.002	0.0101	0.1088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0943	0.2109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0089	0.0129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0101	0.0101
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0341	0.0943
Echinococcus multilocularis	acetylcholinesterase	0.043	0.4471	0.4471
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0041	0.0332	0.0675
Leishmania major	hypothetical protein, conserved	0.0042	0.0341	0.4207
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0943	0.2109
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0353	0.5129
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0101	0.128
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0341	0.5121
Leishmania major	cathepsin L-like protease	0.0075	0.0688	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0041	0.0332	0.0332
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0791	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0073	0.0666	0.2161
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0481	0.1468
Onchocerca volvulus		0.002	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0943	0.2052
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0481	0.4744
Brugia malayi	RNA, U transporter 1	0.0084	0.0785	0.1756
Loa Loa (eye worm)	cysteine protease	0.002	0.0101	0.0155
Echinococcus granulosus	kinesin family 1	0.0247	0.2528	0.5653
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0353	0.0789
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0332	0.4979
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0032	0.0913
Leishmania major	cathepsin L-like protease	0.002	0.0101	0.0197
Brugia malayi	Cathepsin L-like precursor	0.002	0.0101	0.0226
Plasmodium vivax	vivapain-2	0.002	0.0101	0.128
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0147	0.0964
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0124	0.1563
Onchocerca volvulus		0.0042	0.0341	0.4873
Schistosoma mansoni	acetylcholinesterase	0.0073	0.0666	0.149
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.0494	0.1104
Loa Loa (eye worm)	hypothetical protein	0.043	0.4471	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0666	0.1428
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0332	0.4979
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0481	0.0481
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0353	0.0789
Echinococcus granulosus	cathepsin l1	0.002	0.0101	0.0226
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0688	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0073	0.0666	0.7288
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0124	0.1797
Echinococcus granulosus	acetylcholinesterase	0.043	0.4471	1
Echinococcus granulosus	snurportin 1	0.0315	0.3244	0.7256
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0101	0.1088
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0073	0.0666	0.2161
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0791	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Schistosoma mansoni	ap endonuclease	0.0041	0.0332	0.0742
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0039	0.0304	0.1742
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0041	0.0332	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Schistosoma mansoni	hypothetical protein	0.0215	0.2185	0.4888
Echinococcus granulosus	carboxylesterase 5A	0.043	0.4471	1
Toxoplasma gondii	exonuclease III APE	0.0041	0.0332	0.3455
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0032	0.0072
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0341	0.0341
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.2759	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0101	0.0101
Brugia malayi	Carboxylesterase family protein	0.0073	0.0666	0.149
Echinococcus granulosus	para nitrobenzyl esterase	0.0073	0.0666	0.149
Echinococcus multilocularis	acetylcholinesterase	0.043	0.4471	0.4471
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0089	0.02
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.0666	0.149
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0332	0.4823
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0353	0.5129
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0041	0.0332	0.9404
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0235	0.0456
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0353	0.4401
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0206	0.3002
Loa Loa (eye worm)	fibroinase	0.002	0.0101	0.0155
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0341	0.0696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Leishmania major	cathepsin L-like protease	0.002	0.0101	0.0197
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0341	0.5121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Onchocerca volvulus		0.0073	0.0666	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0089	0.0089
Onchocerca volvulus		0.0073	0.0666	1
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0341	0.0696
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0481	0.1468
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0341	0.0205
Echinococcus multilocularis	neuroligin	0.0073	0.0666	0.0666
Echinococcus multilocularis	snurportin 1	0.0315	0.3244	0.3244
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0089	0.13
Mycobacterium ulcerans	lipase LipD	0.0042	0.0341	0.0205
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0688	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0332	0.4823
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0284	0.0636
Entamoeba histolytica	hypothetical protein	0.0037	0.0284	0.8059
Trichomonas vaginalis	ran, putative	0.0022	0.0124	0.1855
Brugia malayi	Carboxylesterase family protein	0.043	0.4471	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0041	0.0332	0.4823
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0341	0.0696
Onchocerca volvulus		0.0073	0.0666	1
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0341	0.0205
Echinococcus multilocularis	carboxylesterase 5A	0.043	0.4471	0.4471
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0101	0.0101
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.0791	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0206	0.1669
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0073	0.0666	0.0666
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0101	0.1519
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0101	0.0226
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0101	0.128
Plasmodium vivax	kinesin-5	0.0032	0.0235	0.297
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0206	0.2611
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0018	0.0089	0.1131
Leishmania major	GTP-binding protein, putative	0.0022	0.0124	0.0571
Brugia malayi	beta-lactamase family protein	0.0042	0.0341	0.0763
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0341	0.0943
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0101	0.1519
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0147	0.2208
Onchocerca volvulus		0.002	0.0101	0.1088
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0041	0.0332	0.405
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0073	0.0666	0.149
Brugia malayi	MH2 domain containing protein	0.0122	0.1192	0.2667
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0341	0.5121

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.323 uM	Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay	ChEMBL.	21899292
IC50 (functional)	= 1.4 uM	Anticancer activity against human COLO205 cells after 72 hrs by MTS/PMS assay	ChEMBL.	21899292

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21899292

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: CHEMBL1829428

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 1111846