TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 455.548 | Formula: C28H29N3O3
H donors: 2 H acceptors: 1 LogP: 6.44 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1ccc2c(c1)c(/C=N/NC(=O)c1ccccc1OC)c([nH]2)c1ccc(cc1)OC
InChi: 1S/C28H29N3O3/c1-4-5-8-19-11-16-25-23(17-19)24(27(30-25)20-12-14-21(33-2)15-13-20)18-29-31-28(32)22-9-6-7-10-26(22)34-3/h6-7,9-18,30H,4-5,8H2,1-3H3,(H,31,32)/b29-18+
InChiKey: RPNFLCMZWBDHAY-RDRPBHBLSA-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 multilocularis	BC026374 protein (S09 family)	0.007	0.0536	0.0536
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0132	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0926	0.1032
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1223	0.1223
Loa Loa (eye worm)	RNA binding protein	0.0125	0.1087	0.1212
Schistosoma mansoni	cpg binding protein	0.0056	0.0405	0.0452
Brugia malayi	Carboxylesterase family protein	0.007	0.0536	0.0598
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0057	0.0057
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0037	0.0215	0.0752
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	1
Onchocerca volvulus		0.007	0.0536	0.384
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0231	0.0231
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0606	0.6696
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0188	0.0188
Echinococcus granulosus	transient receptor potential ion channel A	0.0101	0.0844	0.0844
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.007	0.0536	0.0536
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0203	0.0226
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0231	0.0805
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0078	0.0024
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	0.5
Schistosoma mansoni	hypothetical protein	0.0803	0.7805	0.8701
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0039	0.0039
Schistosoma mansoni	transient receptor potential channel	0.0069	0.0529	0.059
Echinococcus multilocularis	short transient receptor potential channel 6	0.0069	0.0529	0.0529
Schistosoma mansoni	ran	0.0021	0.0057	0.0063
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Schistosoma mansoni	importin beta-1	0.0029	0.0132	0.0147
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0271	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0107	0.012
Onchocerca volvulus		0.0048	0.0318	0.2152
Echinococcus multilocularis	musashi	0.0026	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0037	0.0215	0.0215
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0606	0.6696
Schistosoma mansoni	lipoxygenase	0.0117	0.1001	0.1116
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.1087	0.1212
Loa Loa (eye worm)	hypothetical protein	0.015	0.1333	0.1485
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0037	0.0215	0.024
Echinococcus multilocularis	dnaJ subfamily B	0.0803	0.7805	0.7805
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0144	0.1274	0.445
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0188	0.0188
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0188	0.0188
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0231	0.3804
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.6601	0.7358
Echinococcus multilocularis	para nitrobenzyl esterase	0.007	0.0536	0.0536
Echinococcus granulosus	carboxylesterase 5A	0.0412	0.3928	0.3928
Echinococcus multilocularis	lamin dm0	0.0026	0.0107	0.0107
Onchocerca volvulus		0.007	0.0536	0.384
Brugia malayi	Probable ClpP-like protease	0.0077	0.0606	0.0676
Onchocerca volvulus		0.0026	0.0107	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2157	0.2404
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.012	0.1032	0.115
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0057	0.0063
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0039	0.0039
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0203	0.1903
Echinococcus multilocularis	acetylcholinesterase	0.0412	0.3928	0.3928
Schistosoma mansoni	rab6-interacting	0.0019	0.0039	0.0044
Echinococcus granulosus	TRP transient receptor potential channel	0.0039	0.023	0.023
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0107	0.012
Schistosoma mansoni	hypothetical protein	0.0034	0.0188	0.021
Echinococcus multilocularis	short transient receptor potential channel 6	0.0069	0.0529	0.0529
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0203	0.0226
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0037	0.0215	0.0752
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0039	0.0651
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.1274	0.445
Brugia malayi	RNA binding protein	0.0125	0.1087	0.1212
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0271	0.0945
Brugia malayi	Carboxylesterase family protein	0.007	0.0536	0.0598
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0231	0.0231
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0107	0.012
Brugia malayi	Doublecortin family protein	0.0019	0.0039	0.0044
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.0926	0.1032
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0203	0.1903
Echinococcus multilocularis	carboxylesterase 5A	0.0412	0.3928	0.3928
Schistosoma mansoni	lipoxygenase	0.0081	0.0654	0.0728
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0231	0.0805
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0037	0.0215	0.0215
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.1087	0.1087
Brugia malayi	glutaminase DH11.1	0.0921	0.8971	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0032	0.0032
Trichomonas vaginalis	spcc417.12 protein, putative	0.007	0.0536	0.0538
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1223	0.1223
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0037	0.0215	0.9127
Brugia malayi	Carboxylesterase family protein	0.007	0.0536	0.0598
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0037	0.0215	0.0178
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0039	0.0039
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.2157	0.2157
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.0536	0.1734
Echinococcus granulosus	intermediate filament protein	0.0026	0.0107	0.0107
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0037	0.0215	0.0178
Leishmania major	GTP-binding protein, putative	0.0021	0.0057	0.0198
Echinococcus granulosus	lysine specific demethylase 5A	0.0061	0.0454	0.0454
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2124	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0344	0.4744
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0188	0.0188
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0078	0.0024
Toxoplasma gondii	exonuclease III APE	0.0039	0.0231	0.2547
Echinococcus granulosus	neuroligin	0.007	0.0536	0.0536
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.0536	0.0598
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0057	0.0198
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0017	0.0019	0.0019
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0203	0.0709
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0231	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.1087	0.1212
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0606	0.0606
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0203	0.0203
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0132	0.1458
Schistosoma mansoni	loxhd1	0.0019	0.0039	0.0044
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0078	0.0024
Brugia malayi	MH2 domain containing protein	0.0118	0.1015	0.1131
Echinococcus multilocularis	transient receptor potential ion channel A	0.0101	0.0844	0.0844
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0108	0.1785
Schistosoma mansoni	hypothetical protein	0.0019	0.0039	0.0044
Brugia malayi	hypothetical protein	0.0019	0.0039	0.0044
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0188	0.021
Echinococcus multilocularis	acetylcholinesterase	0.0412	0.3928	0.3928
Schistosoma mansoni	hypothetical protein	0.0034	0.0188	0.021
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.0422	0.0422
Mycobacterium ulcerans	hypothetical protein	0.016	0.1435	0.1405
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0495	0.0552
Onchocerca volvulus		0.0036	0.0203	0.1264
Echinococcus granulosus	lamin	0.0026	0.0107	0.0107
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.1087	0.1212
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	0.046
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1223	0.1223
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0108	0.1785
Echinococcus granulosus	RUN	0.0019	0.0039	0.0039
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0037	0.0215	0.3553
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0412	0.3928	0.4378
Schistosoma mansoni	glutaminase	0.0921	0.8971	1
Brugia malayi	jmjC domain containing protein	0.0061	0.0454	0.0506
Schistosoma mansoni	cellular tumor antigen P53	0.015	0.1333	0.1485
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.6601	0.6601
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0231	0.0031
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0039	0.023	0.023
Loa Loa (eye worm)	carboxylesterase	0.007	0.0536	0.0598
Onchocerca volvulus		0.007	0.0536	0.384
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0203	0.0709
Echinococcus granulosus	tar DNA binding protein	0.0125	0.1087	0.1087
Brugia malayi	jmjC domain containing protein	0.0058	0.0422	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0188	0.021
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0039	0.0044
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0203	0.0164
Leishmania major	mitochondrial DNA polymerase beta	0.0304	0.2863	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0017	0.0019
Schistosoma mansoni	ap endonuclease	0.0039	0.0231	0.0257
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0231	0.0257
Brugia malayi	beta-lactamase family protein	0.0036	0.0203	0.0226
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0057	0.0934
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0017	0.0019	0.0019
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0231	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3928	0.4378
Loa Loa (eye worm)	histone methyltransferase	0.0017	0.0019	0.0022
Echinococcus multilocularis	transient receptor potential gamma protein	0.0104	0.0879	0.0879
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0203	0.0226
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0037	0.0215	0.0752
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.1223	0.1363
Echinococcus granulosus	short transient receptor potential channel 6	0.0069	0.0529	0.0529
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0039	0.0039
Toxoplasma gondii	hypothetical protein	0.0026	0.0108	0.1195
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0606	0.0676
Onchocerca volvulus		0.0026	0.0107	0.0524
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.2157	0.2157
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0037	0.0215	0.0752
Mycobacterium tuberculosis	Conserved hypothetical protein	0.016	0.1435	0.6415
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.0536	0.0598
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0203	0.0164
Brugia malayi	Transient-receptor-potential like protein	0.0039	0.023	0.0257
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0203	0.0709
Schistosoma mansoni	transient receptor potential channel	0.0069	0.0529	0.059
Schistosoma mansoni	polycystin 1-related	0.0019	0.0039	0.0044
Echinococcus granulosus	transient receptor potential gamma protein	0.0104	0.0879	0.0879
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	0.046
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.0926	0.1032
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0363	0.1269
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0057	0.0625
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.1087	0.1212
Onchocerca volvulus		0.0056	0.0405	0.2829
Echinococcus multilocularis	cpg binding protein	0.006	0.0437	0.0437
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0132	0.0461
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0203	0.0226
Brugia malayi	Importin beta-1 subunit	0.0029	0.0132	0.0147
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0057	0.0198
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1223	0.1363
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0057	0.0934
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.007	0.0536	0.0536
Echinococcus multilocularis	snurportin 1	0.0308	0.2894	0.2894
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0203	0.0226
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	0.5
Trichomonas vaginalis	esterase, putative	0.0036	0.0203	0.0164
Onchocerca volvulus		0.015	0.1333	1
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.1087	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Schistosoma mansoni	transient receptor potential channel	0.0104	0.0879	0.0979
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0037	0.0215	0.024
Mycobacterium ulcerans	glutaminase	0.0921	0.8971	1
Onchocerca volvulus		0.0036	0.0203	0.1264
Echinococcus granulosus	lamin dm0	0.0026	0.0107	0.0107
Brugia malayi	RNA, U transporter 1	0.0082	0.0658	0.0734
Echinococcus granulosus	short transient receptor potential channel 6	0.0069	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0879	0.0979
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0039	0.0044
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0203	0.0164
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0318	0.0354
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0117	0.1001	0.1001
Echinococcus granulosus	dnaJ subfamily B	0.0803	0.7805	0.7805
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.1087	0.1212
Schistosoma mansoni	ap endonuclease	0.0039	0.0231	0.0257
Echinococcus granulosus	GPCR family 2	0.0034	0.0188	0.0188
Echinococcus granulosus	acetylcholinesterase	0.0412	0.3928	0.3928
Brugia malayi	hypothetical protein	0.0019	0.0039	0.0044
Echinococcus multilocularis	RUN	0.0019	0.0039	0.0039
Schistosoma mansoni	cpg binding protein	0.006	0.0437	0.0487
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0203	0.0164
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0039	0.0039
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.1274	0.445
Loa Loa (eye worm)	carboxylesterase	0.007	0.0536	0.0598
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0231	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.1223	0.1363
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0037	0.0215	0.024
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0606	1
Brugia malayi	Carboxylesterase family protein	0.0412	0.3928	0.4378
Toxoplasma gondii	hypothetical protein	0.0049	0.0333	0.3678
Mycobacterium ulcerans	carboxylesterase, LipT	0.007	0.0536	0.038
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Leishmania major	hypothetical protein, conserved	0.0036	0.0203	0.0709
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0606	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0188	0.0188
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.0422	0.0471
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0231	0.0195
Brugia malayi	Carboxylesterase family protein	0.0412	0.3928	0.4378
Loa Loa (eye worm)	glutaminase 2	0.0921	0.8971	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0188	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1223	0.1223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1223	0.1363
Brugia malayi	Carboxylesterase family protein	0.007	0.0536	0.0598
Echinococcus granulosus	cpg binding protein	0.006	0.0437	0.0437
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0132	0.0461
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0039	0.0651
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0231	0.0805
Schistosoma mansoni	gliotactin	0.007	0.0536	0.0598
Brugia malayi	intermediate filament protein	0.0026	0.0107	0.012
Brugia malayi	beta-lactamase family protein	0.0036	0.0203	0.0226
Schistosoma mansoni	hypothetical protein	0.0075	0.0585	0.0652
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0078	0.0272
Schistosoma mansoni	hypothetical protein	0.0048	0.0318	0.0354
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0132	0.0132
Brugia malayi	hypothetical protein	0.007	0.0536	0.0598
Echinococcus granulosus	acetylcholinesterase	0.0412	0.3928	0.3928
Brugia malayi	beta-lactamase	0.0036	0.0203	0.0226
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Schistosoma mansoni	ran	0.0021	0.0057	0.0063
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0231	0.0805
Onchocerca volvulus		0.007	0.0536	0.384
Echinococcus multilocularis	tumor protein p63	0.1025	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0203	0.0203
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0107	0.012
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0231	0.3804
Loa Loa (eye worm)	carboxylesterase	0.0412	0.3928	0.4378
Schistosoma mansoni	BC026374 protein (S09 family)	0.007	0.0536	0.0598
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0585	0.0652
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0304	0.2863	1
Echinococcus granulosus	para nitrobenzyl esterase	0.007	0.0536	0.0536
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0132	0.0132
Schistosoma mansoni	rab6-interacting	0.0019	0.0039	0.0044
Toxoplasma gondii	ABC1 family protein	0.0036	0.0203	0.2242
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0231	0.2457
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.0422	0.0422
Schistosoma mansoni	lamin	0.0026	0.0107	0.012
Echinococcus granulosus	BC026374 protein S09 family	0.007	0.0536	0.0536
Onchocerca volvulus		0.0036	0.0203	0.1264
Echinococcus multilocularis	lamin	0.0026	0.0107	0.0107
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.1087	0.1212
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1015	0.1131
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0344	0.0736
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0318	0.0354
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0203	0.0164
Schistosoma mansoni	hypothetical protein	0.0308	0.2894	0.3226
Schistosoma mansoni	lamin	0.0026	0.0107	0.012
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0037	0.0215	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0218
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0304	0.2863	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.0405	0.0452
Schistosoma mansoni	acetylcholinesterase	0.007	0.0536	0.0598
Plasmodium falciparum	importin beta, putative	0.0029	0.0132	0.2177
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0344	0.0344
Schistosoma mansoni	cpg binding protein	0.006	0.0437	0.0487
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0344	0.0736
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0271	0.0945
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0344	0.0344
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.1087	0.1212
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.0422	0.0422
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0057	0.0063
Onchocerca volvulus		0.007	0.0536	0.384
Loa Loa (eye worm)	glutaminase	0.0921	0.8971	1
Brugia malayi	CXXC zinc finger family protein	0.0056	0.0405	0.0452
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0606	0.0606
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.0926	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0039	0.0044
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0188	0.021
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0039	0.0039
Brugia malayi	hypothetical protein	0.0233	0.2157	0.2404
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0304	0.2863	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.007	0.0536	0.1734
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0037	0.0215	0.024
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0585	0.0652
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0203	0.3348
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0032	0.0032
Echinococcus granulosus	snurportin 1	0.0308	0.2894	0.2894
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0107	0.012
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.0536	0.0598
Echinococcus multilocularis	neuroligin	0.007	0.0536	0.0536
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.0536	0.1734
Schistosoma mansoni	hypothetical protein	0.0034	0.0188	0.021
Brugia malayi	TAR-binding protein	0.0125	0.1087	0.1212
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0107	0.0905	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0188	0.021
Schistosoma mansoni	transient receptor potential channel 4	0.0104	0.0879	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0132	0.0147
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0606	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.007	0.0536	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0606	0.0676
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0057	0.0198
Loa Loa (eye worm)	hypothetical protein	0.007	0.0536	0.0598
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.0454	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0203	0.0226
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.0454	0.0506
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0117	0.1001	0.1001
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0231	0.0195
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.2894	0.3226
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.6601	0.6601
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0454	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3928	0.4378
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0037	0.0215	0.024
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1015	0.1131
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0037	0.0215	0.2379
Trichomonas vaginalis	glutaminase, putative	0.0921	0.8971	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.023	0.0257
Schistosoma mansoni	neuroligin 3 (S09 family)	0.007	0.0536	0.0598
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1223	0.1363
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0231	0.0144
Entamoeba histolytica	hypothetical protein	0.0023	0.0078	0.1229
Loa Loa (eye worm)	acetylcholinesterase 1	0.0412	0.3928	0.4378
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0271	0.0945
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0078	0.0272

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 21 nM	Antiproliferative activity against human MDA-MB-231 cells after 4 days by microplate assay	ChEMBL.	18513974
IC50 (functional)	= 71 nM	Antiproliferative activity against human MCF7 cells after 5 days by microplate assay	ChEMBL.	18513974
IC50 (functional)	= 74 nM	Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay	ChEMBL.	18513974
IC90 (functional)	= 142 nM	Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay	ChEMBL.	18513974

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18513974

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: CHEMBL520725

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1018321