TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.503 | Formula: C18H18N6O5S2
H donors: 4 H acceptors: 7 LogP: 0.79 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)CNS(=O)(=O)c1cc2c(s1)cccc2
InChi: 1S/C18H18N6O5S2/c19-16-13-17(21-7-20-16)24(8-22-13)18-15(26)14(25)10(29-18)6-23-31(27,28)12-5-9-3-1-2-4-11(9)30-12/h1-5,7-8,10,14-15,18,23,25-26H,6H2,(H2,19,20,21)/t10-,14-,15-,18-/m1/s1
InChiKey: MPKBWVBYZDMVEB-YVLZZHOMSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0169	0.0191
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0287	0.252	0.252
Echinococcus multilocularis	expressed conserved protein	0.0105	0.088	0.088
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0169	0.0191
Trichomonas vaginalis	aldo/keto reductase, putative	0.099	0.8872	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0117	0.0985	0.111
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0099	0.0111
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0169	0.0191
Brugia malayi	CXXC zinc finger family protein	0.0032	0.022	0.022
Schistosoma mansoni	cpg binding protein	0.0034	0.0236	0.0236
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0718	0.6409	1
Toxoplasma gondii	aldo-keto reductase	0.0287	0.252	0.284
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0099	0.0111
Echinococcus granulosus	aldo keto reductase	0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0942	0.0942
Onchocerca volvulus		0.0287	0.252	0.252
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Mycobacterium ulcerans	oxidoreductase	0.099	0.8872	1
Brugia malayi	prolyl oligopeptidase family protein	0.0117	0.0985	0.0985
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.022	0.022
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0117	0.0985	0.111
Schistosoma mansoni	aldo-keto reductase	0.099	0.8872	0.8872
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0169	0.0191
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0364	0.0364
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Echinococcus granulosus	hypothetical protein	0.099	0.8872	0.8872
Echinococcus granulosus	microtubule associated protein 2	0.0772	0.6902	0.6902
Toxoplasma gondii	aldose reductase, putative	0.099	0.8872	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0364	0.0364
Schistosoma mansoni	aldo-keto reductase	0.099	0.8872	0.8872
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.0771	0.0869
Brugia malayi	prolyl oligopeptidase family protein	0.067	0.5977	0.5977
Trypanosoma cruzi	aldo-keto reductase	0.099	0.8872	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Plasmodium falciparum	peptidase, putative	0.0117	0.0985	0.1537
Brugia malayi	hypothetical protein	0.0169	0.1456	0.1456
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Brugia malayi	prolyl oligopeptidase family protein	0.0117	0.0985	0.0985
Echinococcus granulosus	aldo keto reductase	0.099	0.8872	0.8872
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.099	0.8872	0.8872
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0117	0.0985	0.111
Mycobacterium tuberculosis	Probable oxidoreductase	0.099	0.8872	1
Echinococcus multilocularis	aldo keto reductase	0.099	0.8872	0.8872
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0392	0.0392
Brugia malayi	prolyl oligopeptidase family protein	0.0117	0.0985	0.0985
Mycobacterium leprae	Conserved hypothetical protein	0.0703	0.6282	0.7081
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0109	0.0122
Schistosoma mansoni	hypothetical protein	0.0046	0.0348	0.0348
Trichomonas vaginalis	aldo/keto reductase, putative	0.099	0.8872	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Schistosoma mansoni	microtubule-associated protein tau	0.0772	0.6902	0.6902
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1456	0.1456
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.099	0.8872	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0392	0.0392
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0287	0.252	0.252
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0718	0.6409	0.7224
Entamoeba histolytica	hypothetical protein, conserved	0.0117	0.0985	0.111
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Echinococcus granulosus	aldehyde reductase	0.0703	0.6282	0.6282
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0169	0.0191
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0109	0.0122
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0117	0.0985	0.111
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0169	0.0169
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0479	0.054
Giardia lamblia	Aldose reductase	0.099	0.8872	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0169	0.0191
Echinococcus granulosus	dnaJ subfamily B	0.0458	0.4062	0.4062
Mycobacterium leprae	Possible oxidoreductase	0.0287	0.252	0.284
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.1115	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0169	0.0169
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0364	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0291	0.2555	0.2555
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0169	0.0191
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0002	0.0002
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0287	0.252	0.284
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0392	0.0392
Onchocerca volvulus		0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0985	0.0985
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0117	0.0985	0.111
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0392	0.0392
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0109	0.017
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0109	0.017
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Loa Loa (eye worm)	oxidoreductase	0.099	0.8872	0.8872
Mycobacterium tuberculosis	Conserved protein	0.0287	0.252	0.284
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0046	0.0348	0.0348
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0114	0.0957	0.0957
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0287	0.252	0.284
Echinococcus multilocularis	prolyl endopeptidase	0.0117	0.0985	0.0985
Onchocerca volvulus		0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0985	0.0985
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.0771	0.0869
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0392	0.0392
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0019	0.0019
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.099	0.8872	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.067	0.5977	0.5977
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0117	0.0985	0.111
Mycobacterium tuberculosis	Probable peptidase	0.0117	0.0985	0.111
Echinococcus multilocularis	geminin	0.0205	0.1777	0.1777
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0169	0.0169
Echinococcus multilocularis	aldo keto reductase	0.099	0.8872	0.8872
Trypanosoma cruzi	aldo/keto reductase, putative	0.0287	0.252	0.284
Echinococcus multilocularis	cpg binding protein	0.0034	0.0236	0.0236
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0117	0.0985	0.0985
Leishmania major	prostaglandin f synthase, putative	0.099	0.8872	1
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0117	0.0985	0.111
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0364	0.0364
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0117	0.0985	0.0985
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.067	0.5977	0.6737
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.099	0.8872	0.8872
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0099	0.0111
Leishmania major	oligopeptidase b	0.0117	0.0985	0.111
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.099	0.8872	0.8872
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0117	0.0985	0.111
Trypanosoma brucei	prostaglandin f synthase	0.099	0.8872	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0287	0.252	0.3932
Trypanosoma brucei	aldo-keto reductase, putative	0.099	0.8872	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0169	0.0169
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Schistosoma mansoni	pol-related	0.099	0.8872	0.8872
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Onchocerca volvulus		0.099	0.8872	0.8872
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0718	0.6409	0.7224
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0002	0.0002
Schistosoma mansoni	cpg binding protein	0.0032	0.022	0.022
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0169	0.0191
Brugia malayi	CHE-14 protein	0.0048	0.0364	0.0364
Onchocerca volvulus		0.0027	0.0169	0.0169
Schistosoma mansoni	hypothetical protein	0.0046	0.0348	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3351	0.3351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0392	0.0392
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0287	0.252	0.252
Entamoeba histolytica	aldose reductase, putative	0.099	0.8872	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Echinococcus multilocularis	aldo keto reductase	0.099	0.8872	0.8872
Echinococcus granulosus	aldo keto reductase	0.099	0.8872	0.8872
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0019	0.0019
Toxoplasma gondii	prolyl endopeptidase	0.0117	0.0985	0.111
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0287	0.252	0.284
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0002	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0364	0.041
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0018	0.0018
Trypanosoma brucei	prolyl endopeptidase	0.0117	0.0985	0.111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0462	0.0462
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.099	0.8872	0.8872
Plasmodium vivax	aldehyde reductase, putative	0.0287	0.252	0.3932
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.067	0.5977	0.5977
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.067	0.5977	0.6737
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0718	0.6409	1
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.0771	0.0869
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.0545	0.0545
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0117	0.0985	0.111
Entamoeba histolytica	aldose reductase, putative	0.099	0.8872	1
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0117	0.0985	0.111
Schistosoma mansoni	cpg binding protein	0.0034	0.0236	0.0236
Trypanosoma brucei	aldo/keto reductase, putative	0.0287	0.252	0.284
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Onchocerca volvulus		0.099	0.8872	0.8872
Echinococcus multilocularis	aldehyde reductase	0.0703	0.6282	0.6282
Brugia malayi	hypothetical protein	0.0379	0.3351	0.3351
Schistosoma mansoni	potassium channel beta	0.0287	0.252	0.252
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0169	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.0985	0.111
Trypanosoma cruzi	oligopeptidase b	0.0117	0.0985	0.111
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Trichomonas vaginalis	aldo-keto reductase, putative	0.0287	0.252	0.284
Giardia lamblia	Aldose reductase	0.099	0.8872	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.099	0.8872	1
Plasmodium vivax	hypothetical protein, conserved	0.0117	0.0985	0.1537
Onchocerca volvulus		0.099	0.8872	0.8872
Trichomonas vaginalis	conserved hypothetical protein	0.0287	0.252	0.284
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0169	0.0169
Loa Loa (eye worm)	oxidoreductase	0.099	0.8872	0.8872
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0169	0.0191
Echinococcus granulosus	prolyl endopeptidase	0.0117	0.0985	0.0985
Echinococcus granulosus	Niemann Pick C1 protein	0.016	0.1376	0.1376
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0117	0.0985	0.111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0392	0.0392
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.1115	1	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0117	0.0985	0.0985
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Trichomonas vaginalis	aldo-keto reductase, putative	0.0287	0.252	0.284
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0002	0.0002
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Echinococcus granulosus	geminin	0.0205	0.1777	0.1777
Trypanosoma cruzi	aldo/keto reductase, putative	0.099	0.8872	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0287	0.252	0.3932
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0117	0.0985	0.111
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1777	0.1777
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Trypanosoma cruzi	oligopeptidase b	0.0117	0.0985	0.111
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0169	0.0191
Echinococcus granulosus	acylamino acid releasing enzyme	0.0117	0.0985	0.0985
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0287	0.252	0.284
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.067	0.5977	0.6737
Trichomonas vaginalis	aldo-keto reductase, putative	0.0287	0.252	0.284
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.099	0.8872	0.8872
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.099	0.8872	0.8872
Entamoeba histolytica	aldose reductase, putative	0.099	0.8872	1
Loa Loa (eye worm)	oxidoreductase	0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Toxoplasma gondii	hypothetical protein	0.0117	0.0985	0.111
Brugia malayi	NADH-dependent xylose reductase	0.0287	0.252	0.252
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0019	0.0019
Echinococcus granulosus	cpg binding protein	0.0034	0.0236	0.0236
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0169	0.0191
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0169	0.0191
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0117	0.0985	0.111
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0718	0.6409	0.7224
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0117	0.0985	0.111
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0718	0.6409	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0287	0.252	0.284
Loa Loa (eye worm)	prolyl oligopeptidase	0.1115	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0287	0.252	0.252
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.099	0.8872	1
Plasmodium falciparum	aldehyde reductase, putative	0.0287	0.252	0.3932
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0169	0.0191
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.099	0.8872	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.8772	0.8772
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.067	0.5977	0.6737
Leishmania major	aldo-keto reductase-like protein	0.099	0.8872	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0112	0.0942	0.0942
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0117	0.0985	0.111
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.0771	0.0869
Schistosoma mansoni	hypothetical protein	0.0205	0.1777	0.1777
Loa Loa (eye worm)	oxidoreductase	0.099	0.8872	0.8872
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0117	0.0985	0.111
Trypanosoma cruzi	prolyl endopeptidase	0.0117	0.0985	0.111
Loa Loa (eye worm)	oxidoreductase	0.099	0.8872	0.8872
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0169	0.0191
Echinococcus multilocularis	microtubule associated protein 2	0.0772	0.6902	0.6902
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.067	0.5977	0.6737
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.1115	1	1
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0718	0.6409	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0392	0.0392
Echinococcus granulosus	voltage gated potassium channel subunit	0.0287	0.252	0.252
Echinococcus granulosus	expressed conserved protein	0.0105	0.088	0.088
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0112	0.0942	0.1061
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0287	0.252	0.284
Echinococcus multilocularis	protein patched	0.0048	0.0364	0.0364
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0117	0.0985	0.0985
Echinococcus multilocularis	aldo keto reductase	0.099	0.8872	0.8872
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Onchocerca volvulus		0.0169	0.1456	0.1456
Echinococcus multilocularis	dnaJ subfamily B	0.0458	0.4062	0.4062
Echinococcus granulosus	Dipeptidyl peptidase 9	0.067	0.5977	0.5977
Trypanosoma cruzi	hypothetical protein, conserved	0.0117	0.0985	0.111
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0117	0.0985	0.0985
Mycobacterium ulcerans	hypothetical protein	0.0287	0.252	0.284
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0496	0.4406	0.4967
Onchocerca volvulus		0.099	0.8872	0.8872
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0117	0.0985	0.0985
Echinococcus granulosus	Niemann Pick C1 protein	0.0112	0.0942	0.0942
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.099	0.8872	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.099	0.8872	1
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0425	0.0425
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0169	0.0191
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.0771	0.0869
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0117	0.0985	0.111
Schistosoma mansoni	hypothetical protein	0.0458	0.4062	0.4062
Brugia malayi	Niemann-Pick C1 protein precursor	0.0112	0.0942	0.0942
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0117	0.0985	0.0985
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.1115	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0169	0.0191
Schistosoma mansoni	patched 1	0.0048	0.0364	0.0364
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.099	0.8872	0.8872
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0364	0.0364
Schistosoma mansoni	hypothetical protein	0.0046	0.0348	0.0348
Echinococcus multilocularis	Niemann Pick C1 protein	0.016	0.1376	0.1376
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0169	0.0191
Trypanosoma brucei	oligopeptidase b	0.0117	0.0985	0.111
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0099	0.0111
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0117	0.0985	0.111
Onchocerca volvulus		0.0032	0.022	0.022
Trichomonas vaginalis	aldo-keto reductase, putative	0.099	0.8872	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0718	0.6409	0.7224
Trypanosoma cruzi	hypothetical protein, conserved	0.0117	0.0985	0.111

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.1962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	14.581 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1719587

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1484151