TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.474 | Formula: C25H23FN4O2
H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)Oc1c(C(=O)N2CCNCC2)c2c(n1c1ccccc1)ccnc2)C
InChi: 1S/C25H23FN4O2/c1-17-7-8-18(26)15-22(17)32-25-23(24(31)29-13-11-27-12-14-29)20-16-28-10-9-21(20)30(25)19-5-3-2-4-6-19/h2-10,15-16,27H,11-14H2,1H3
InChiKey: LDCODRLKXBCZOO-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	renin	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	renin	406 aa	352 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	polycomb protein SCMH1	0.0053	0.0191	0.0327
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.013	0.0773
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0053	0.0191	0.2483
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.013	0.5236
Toxoplasma gondii	PAN domain-containing protein	0.0045	0.0146	0.0239
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.013	0.0179
Toxoplasma gondii	PAN domain-containing protein	0.0696	0.3779	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.013	0.0935
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0149	0.0727	0.1628
Brugia malayi	MH2 domain containing protein	0.0117	0.0548	0.3804
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0125	0.0741
Brugia malayi	mbt repeat family protein	0.0053	0.0191	0.1115
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0225	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0057	0.0316
Brugia malayi	beta-lactamase family protein	0.0042	0.013	0.0656
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0232	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.013	1
Schistosoma mansoni	hypothetical protein	0.018	0.0901	0.2052
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.013	0.0935
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0225	0.0452
Schistosoma mansoni	hypothetical protein	0.0322	0.1693	0.3975
Onchocerca volvulus		0.0042	0.013	0.1461
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.013	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.013	1
Schistosoma mansoni	protein phosphatase-2b	0.0041	0.0125	0.0166
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0233	0.1195	0.7384
Schistosoma mansoni	hypothetical protein	0.018	0.0901	0.2052
Mycobacterium ulcerans	beta-lactamase	0.0042	0.013	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0232	0.0426
Onchocerca volvulus		0.0042	0.013	0.1461
Toxoplasma gondii	microneme protein MIC17C	0.0045	0.0146	0.0239
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.013	0.5236
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0045	0.0146	0.0239
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0225	1
Toxoplasma gondii	hypothetical protein	0.0045	0.0146	0.0239
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0053	0.0191	0.0135
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.1616	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0.013	1
Echinococcus multilocularis	microtubule associated protein 2	0.0766	0.4172	0.4139
Trypanosoma brucei	protein phosphatase 2B, putative	0.0041	0.0125	0.9308
Loa Loa (eye worm)	hypothetical protein	0.0133	0.064	0.3936
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.013	0.0074
Schistosoma mansoni	hypothetical protein	0.0054	0.0197	0.034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0043	0.2997
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0133	0.064	0.3936
Onchocerca volvulus		0.0045	0.0146	0.1717
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0053	0.0191	0.0327
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.013	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.013	0.5236
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0043	0.031
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0225	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0043	0.0232
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0191	0.0327
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0867	0.1968
Mycobacterium tuberculosis	Conserved protein	0.0042	0.013	0.0935
Plasmodium falciparum	plasmepsin II	0.0059	0.0225	1
Toxoplasma gondii	PAN domain-containing protein	0.0696	0.3779	1
Loa Loa (eye worm)	mbt repeat family protein	0.0053	0.0191	0.1151
Entamoeba histolytica	calcineurin catalytic subunit A, putative	0.0041	0.0125	1
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0225	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0225	0.0409
Toxoplasma gondii	ABC1 family protein	0.0042	0.013	0.0198
Toxoplasma gondii	subtilisin SUB12	0.0045	0.0146	0.0239
Leishmania major	hypothetical protein, conserved	0.0042	0.013	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0225	0.0409
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Toxoplasma gondii	microneme protein, putative	0.0045	0.0146	0.0239
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0043	0.2997
Toxoplasma gondii	microneme protein MIC4	0.0045	0.0146	0.0239
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0043	0.2997
Echinococcus granulosus	microtubule associated protein 2	0.0766	0.4172	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0197	0.1155
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0225	0.0452
Plasmodium falciparum	plasmepsin IV	0.0059	0.0225	1
Brugia malayi	hypothetical protein	0.0133	0.064	0.4491
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0232	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0043	0.0232
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Brugia malayi	follicle stimulating hormone receptor	0.0233	0.1195	0.8672
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0191	0.1151
Toxoplasma gondii	microneme protein MIC17B	0.0045	0.0146	0.0239
Brugia malayi	Serine/threonine protein phosphatase 2B catalytic subunit 2	0.0041	0.0125	0.0618
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0548	0.3369
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0043	0.2997
Onchocerca volvulus		0.0042	0.013	0.1461
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0043	0.2997
Loa Loa (eye worm)	hypothetical protein	0.006	0.0232	0.1405
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.013	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0045	0.0146	0.0868
Loa Loa (eye worm)	PAN domain-containing protein	0.0045	0.0146	0.0868
Onchocerca volvulus	Huntingtin homolog	0.0133	0.064	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.013	0.0935
Echinococcus multilocularis	geminin	0.018	0.0901	0.0849
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Leishmania major	serine/threonine protein phosphatase 2B catalytic subunit A2, putative	0.0041	0.0125	0.9511
Entamoeba histolytica	calcineurin catalytic subunit A, putative	0.0041	0.0125	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Plasmodium falciparum	serine/threonine protein phosphatase 2B catalytic subunit A	0.0041	0.0125	0.5448
Leishmania major	serine/threonine protein phosphatase, putative	0.0041	0.0125	0.9511
Echinococcus granulosus	geminin	0.018	0.0901	0.2052
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0045	0.0146	0.0239
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Trypanosoma cruzi	serine/threonine protein phosphatase 2B catalytic subunit A2, putative	0.0041	0.0125	0.9511
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0548	0.3369
Onchocerca volvulus		0.0045	0.0146	0.1717
Echinococcus multilocularis	survival motor neuron protein 1	0.0264	0.1371	0.1322
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0043	0.1704
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0149	0.0727	0.0674
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0006	0.0043
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.013	0.0935
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0149	0.0727	0.5148
Brugia malayi	Importin beta-1 subunit	0.0029	0.0057	0.0103
Plasmodium vivax	serine/threonine protein phosphatase 2B catalytic subunit A, putative	0.0041	0.0125	0.5448
Toxoplasma gondii	protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein	0.0041	0.0125	0.0184
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0209	0.1061	0.2439
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0043	0.0232
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0043	0.2997
Onchocerca volvulus		0.0045	0.0146	0.1717
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0727	0.1628
Plasmodium falciparum	importin beta, putative	0.0029	0.0057	0.2324
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0727	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0041	0.0125	0.0069
Echinococcus multilocularis	snurportin 1	0.0308	0.1616	0.1568
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0043	0.1621
Onchocerca volvulus		0.0054	0.0197	0.2572
Echinococcus multilocularis	polycomb protein SCMH1	0.0053	0.0191	0.0135
Trypanosoma cruzi	serine/threonine protein phosphatase, putative	0.0041	0.0125	0.9511
Trichomonas vaginalis	esterase, putative	0.0042	0.013	0.5236
Toxoplasma gondii	microneme protein MIC17A	0.0045	0.0146	0.0239
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.013	0.0935
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1371	0.8479
Schistosoma mansoni	hypothetical protein	0.0308	0.1616	0.3789
Entamoeba histolytica	calcineurin catalytic subunit A, putative	0.0041	0.0125	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0045	0.0146	0.0868
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0191	0.0327
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0043	0.1621
Brugia malayi	PAN domain containing protein	0.0045	0.0146	0.0771
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0043	0.2997
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0197	0.034
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0209	0.1061	0.1009
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.1395	1
Loa Loa (eye worm)	MBCTL1	0.006	0.0232	0.1405
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0057	0.2324
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0149	0.0727	0.0674
Onchocerca volvulus	Huntingtin homolog	0.0133	0.064	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0149	0.0727	0.1628
Entamoeba histolytica	calcineurin catalytic subunit A, putative	0.0041	0.0125	1
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0041	0.0125	0.0166
Mycobacterium tuberculosis	Conserved protein	0.0042	0.013	0.0935
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.013	0.0935
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.013	0.0179
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0232	0.0176
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.013	0.0179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0727	0.1628
Loa Loa (eye worm)	PAN domain-containing protein	0.0045	0.0146	0.0868
Echinococcus granulosus	survival motor neuron protein 1	0.0264	0.1371	0.3194
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.013	0.5236
Brugia malayi	beta-lactamase family protein	0.0042	0.013	0.0656
Toxoplasma gondii	hypothetical protein	0.0045	0.0146	0.0239
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.013	0.0656
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.013	0.5681
Brugia malayi	hypothetical protein	0.0264	0.1371	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0225	0.1361
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.013	0.5236
Loa Loa (eye worm)	hypothetical protein	0.0042	0.013	0.0773
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0232	0.0426
Toxoplasma gondii	PAN domain-containing protein	0.0045	0.0146	0.0239
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.013	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0045	0.0146	0.0868
Onchocerca volvulus		0.0053	0.0191	0.2483
Plasmodium falciparum	plasmepsin I	0.0059	0.0225	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.013	0.0935
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.013	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.013	1
Schistosoma mansoni	microtubule-associated protein tau	0.0766	0.4172	1
Plasmodium falciparum	plasmepsin VI	0.0059	0.0225	1
Trypanosoma cruzi	serine/threonine protein phosphatase, putative	0.0041	0.0125	0.9511
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0225	0.1361
Onchocerca volvulus		0.0045	0.0146	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0122	0.0721
Schistosoma mansoni	protein phosphatase-2b	0.0041	0.0125	0.0166
Brugia malayi	mbt repeat family protein	0.0053	0.0191	0.1115
Loa Loa (eye worm)	beta-lactamase	0.0042	0.013	0.0773
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0232	0.1423
Entamoeba histolytica	Ser/Thr protein phosphatase, putative	0.0041	0.0125	1
Echinococcus granulosus	snurportin 1	0.0308	0.1616	0.3789
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0041	0.0125	0.0069
Brugia malayi	RNA, U transporter 1	0.0082	0.0354	0.234
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0867	0.1968
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0043	0.1704
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0041	0.0125	0.0166
Onchocerca volvulus		0.0045	0.0146	0.1717
Echinococcus granulosus	SAM and MBT domain containing protein	0.0053	0.0191	0.0327
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0043	0.031
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Entamoeba histolytica	Ser/Thr protein phosphatase, putative	0.0041	0.0125	1
Toxoplasma gondii	PAN domain-containing protein	0.0045	0.0146	0.0239
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0043	0.2997
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0043	0.1704
Toxoplasma gondii	PAN domain-containing protein	0.0045	0.0146	0.0239
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0149	0.0727	0.4477
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0146	0.0868
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0043	0.1621
Brugia malayi	beta-lactamase	0.0042	0.013	0.0656
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.013	0.0935
Onchocerca volvulus		0.0045	0.0146	0.1717

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.123 uM	Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorometry	ChEMBL.	21840215

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: CHEMBL1824637

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 1042473