TDR Targets

Basic information

Technical information

TDR Targets ID: 1346503
Name: 4-butyl-8-methyl-7-(2H-tetrazol-5-ylmethoxy)c hromen-2-one
MW: 314.339 | Formula: C16H18N4O3
H donors: 1 H acceptors: 4 LogP: 2.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1cc(=O)oc2c1ccc(c2C)OCc1n[nH]nn1
InChi: 1S/C16H18N4O3/c1-3-4-5-11-8-15(21)23-16-10(2)13(7-6-12(11)16)22-9-14-17-19-20-18-14/h6-8H,3-5,9H2,1-2H3,(H,17,18,19,20)
InChiKey: JPJYTOVGEDKBDG-UHFFFAOYSA-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

4-butyl-8-methyl-7-(2H-tetrazol-5-ylmethoxy)-2-chromenone
4-butyl-8-methyl-7-(2H-tetrazol-5-ylmethoxy)coumarin
4-butyl-8-methyl-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one
4-Butyl-8-methyl-7-(2H-tetrazol-5-ylmethoxy)-chromen-2-one
MLS000333699
SMR000437883

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0298	0.2904	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0557	0.6222	0.6222
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0557	0.6222	0.6222
Entamoeba histolytica	cysteine proteinase, putative	0.0557	0.6222	1
Giardia lamblia	Cathepsin B precursor	0.0347	0.3536	0.9746
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.038	0.396	0.396
Brugia malayi	Papain family cysteine protease containing protein	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.396	0.5946
Plasmodium vivax	vivapain-1	0.0298	0.2904	0.4054
Echinococcus multilocularis	cathepsin L	0.0298	0.2904	0.2904
Toxoplasma gondii	cathepsin B	0.0347	0.3536	0.5187
Echinococcus multilocularis	cathepsin b	0.0852	1	1
Schistosoma mansoni	glutaminase	0.033	0.3319	0.3319
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0852	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0121	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0557	0.6222	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Schistosoma mansoni	cathepsin s	0.0177	0.1352	0.1352
Mycobacterium ulcerans	glutaminase	0.033	0.3319	1
Loa Loa (eye worm)	hypothetical protein	0.0852	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0852	1	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.0642	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0298	0.2904	0.2904
Loa Loa (eye worm)	cysteine protease	0.0557	0.6222	0.6222
Entamoeba histolytica	cysteine proteinase, putative	0.0298	0.2904	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.0642	0.0642
Brugia malayi	Papain family cysteine protease containing protein	0.0298	0.2904	0.2904
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Entamoeba histolytica	cysteine proteinase, putative	0.038	0.396	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Brugia malayi	glutaminase DH11.1	0.033	0.3319	0.3319
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0298	0.2904	0.4054
Plasmodium vivax	unspecified product	0.0177	0.1352	0.1272
Trypanosoma cruzi	cysteine proteinase, putative	0.0298	0.2904	0.2417
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Loa Loa (eye worm)	ctsf protein	0.0557	0.6222	0.6222
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0177	0.1352	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1352	0.1352
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.3612	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Entamoeba histolytica	cysteine proteinase, putative	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0177	0.1352	0.0759
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0121	0.0642	0.0642
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0121	0.0642	0.0642
Brugia malayi	cathepsin F-like cysteine proteinase	0.0121	0.0642	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Trypanosoma cruzi	cysteine peptidase, putative	0.0557	0.6222	0.5963
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0298	0.2904	0.2417
Echinococcus multilocularis	cysteine protease	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Onchocerca volvulus	Cathepsin L homolog	0.0557	0.6222	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0557	0.6222	0.6222
Onchocerca volvulus	Cathepsin F homolog	0.0557	0.6222	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0121	0.0642	0.0642
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.3612	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0121	0.0642	0.0642
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.0642	0.0642
Entamoeba histolytica	cysteine proteinase, putative	0.0298	0.2904	0.4054
Onchocerca volvulus		0.0557	0.6222	1
Onchocerca volvulus		0.0557	0.6222	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Plasmodium vivax	vivapain-2	0.0557	0.6222	1
Echinococcus multilocularis	cathepsin L	0.0121	0.0642	0.0642
Brugia malayi	MH2 domain containing protein	0.0144	0.0937	0.0937
Entamoeba histolytica	cysteine proteinase, putative	0.0298	0.2904	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Schistosoma mansoni	cathepsin F (C01 family)	0.038	0.396	0.396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0121	0.0642	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Giardia lamblia	Cathepsin B precursor	0.0347	0.3536	0.9746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0557	0.6222	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Onchocerca volvulus	Cathepsin L homolog	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.396	0.396
Trypanosoma cruzi	cysteine peptidase, putative	0.0557	0.6222	0.5963
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0298	0.2904	0.2904
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1352	0.1352
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0298	0.2904	0.2904
Brugia malayi	cathepsin F-like cysteine proteinase	0.0177	0.1352	0.1352
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0121	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0121	0.0642	0.0642
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1352	0.1352
Trypanosoma cruzi	cysteine proteinase, putative	0.0298	0.2904	0.2417
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0557	0.6222	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0121	0.0642	0.0642
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0852	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0298	0.2904	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0177	0.1352	0.1352
Onchocerca volvulus		0.0557	0.6222	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0852	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0557	0.6222	0.6222
Loa Loa (eye worm)	cathepsin B	0.0347	0.3536	0.3536
Echinococcus granulosus	cathepsin b	0.0852	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0298	0.2904	0.2417
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0347	0.3536	0.5187
Leishmania major	cysteine peptidase A (CPA)	0.0557	0.6222	1
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Echinococcus granulosus	cathepsin L cysteine protease	0.0298	0.2904	0.2904
Brugia malayi	cathepsin L-like cysteine proteinase	0.0121	0.0642	0.0642
Echinococcus granulosus	cathepsin b	0.0852	1	1
Schistosoma mansoni	cathepsin C	0.0121	0.0642	0.0642
Brugia malayi	Cathepsin L-like precursor	0.038	0.396	0.396
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Loa Loa (eye worm)	glutaminase	0.033	0.3319	0.3319
Brugia malayi	Cathepsin L-like precursor	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Brugia malayi	fibroinase precursor	0.0121	0.0642	0.0642
Echinococcus multilocularis	cathepsin b	0.0852	1	1
Echinococcus granulosus	cathepsin l1	0.038	0.396	0.396
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0557	0.6222	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0557	0.6222	0.6222
Plasmodium vivax	vivapain-3	0.0298	0.2904	0.4054
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.1299	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0121	0.0642	0.0642
Echinococcus multilocularis	cysteine protease	0.0557	0.6222	0.6222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Echinococcus granulosus	cathepsin l1	0.0557	0.6222	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0557	0.6222	1
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0937	0.0937
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0937	0.0937
Loa Loa (eye worm)	hypothetical protein	0.038	0.396	0.396
Loa Loa (eye worm)	glutaminase 2	0.033	0.3319	0.3319
Trypanosoma cruzi	cysteine peptidase, putative	0.0557	0.6222	0.5963
Brugia malayi	cathepsin L-like precursor	0.038	0.396	0.396
Onchocerca volvulus		0.0557	0.6222	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0642	0.0642
Toxoplasma gondii	cathepsin CPL	0.0557	0.6222	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0347	0.3536	0.1905
Trypanosoma cruzi	cruzipain precursor, putative	0.0177	0.1352	0.0759
Entamoeba histolytica	cysteine protease, putative	0.0557	0.6222	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0121	0.0642	0.0642
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0347	0.3536	0.3536
Brugia malayi	Cathepsin L-like precursor	0.038	0.396	0.396
Schistosoma mansoni	cathepsin F (C01 family)	0.0557	0.6222	0.6222
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0347	0.3536	0.3093
Onchocerca volvulus		0.038	0.396	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0121	0.0642	0.0642
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Giardia lamblia	Cathepsin B precursor	0.0347	0.3536	0.9746
Brugia malayi	cathepsin L precursor	0.0121	0.0642	0.0642
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0121	0.0642	0.0642
Onchocerca volvulus		0.0557	0.6222	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.396	0.396
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0298	0.2904	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0298	0.2904	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0557	0.6222	0.5963
Echinococcus granulosus	cathepsin L	0.0121	0.0642	0.0642
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Loa Loa (eye worm)	fibroinase	0.0557	0.6222	0.6222
Brugia malayi	Cathepsin L-like precursor	0.0177	0.1352	0.1352
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.1299	0.5
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Echinococcus granulosus	cysteine protease	0.0298	0.2904	0.2904
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0557	0.6222	0.6222
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Brugia malayi	Papain family cysteine protease containing protein	0.0298	0.2904	0.2904
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Entamoeba histolytica	cysteine protease, putative	0.0298	0.2904	0.4054
Onchocerca volvulus		0.0557	0.6222	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0121	0.0642	0.0642
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0121	0.0642	0.0642
Onchocerca volvulus		0.0557	0.6222	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0557	0.6222	0.5963
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0852	1	1
Trichomonas vaginalis	glutaminase, putative	0.033	0.3319	0.4798
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0298	0.2904	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0557	0.6222	0.6222
Plasmodium vivax	unspecified product	0.0298	0.2904	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0557	0.6222	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Leishmania major	cathepsin L-like protease	0.0557	0.6222	1
Echinococcus granulosus	cathepsin L	0.0298	0.2904	0.2904
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0121	0.0642	0.0642
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0121	0.0642	0.0642
Schistosoma mansoni	cathepsin F (C01 family)	0.0557	0.6222	0.6222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0557	0.6222	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3612	0.5322
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.396	0.5946
Plasmodium vivax	vivapain-2	0.0557	0.6222	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0557	0.6222	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0298	0.2904	0.2417
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.038	0.396	0.3545
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0557	0.6222	0.6222

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 17.7407 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1484935

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1346503