TDR Targets

Basic information

Technical information

TDR Targets ID: 1444990
Name: [2-oxo-2-(phenylmethyl-propan-2-ylamino)ethyl ] 2,3-dihydro-1,4-benzodioxine-7-carboxylate
MW: 369.411 | Formula: C21H23NO5
H donors: 0 H acceptors: 2 LogP: 3.31 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(N(C(=O)COC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1)C
InChi: 1S/C21H23NO5/c1-15(2)22(13-16-6-4-3-5-7-16)20(23)14-27-21(24)17-8-9-18-19(12-17)26-11-10-25-18/h3-9,12,15H,10-11,13-14H2,1-2H3
InChiKey: ODYRURNGIVYLQG-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

[2-(isopropyl-(phenylmethyl)amino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-7-carboxylate
2,3-dihydro-1,4-benzodioxine-7-carboxylic acid [2-(isopropyl-(phenylmethyl)amino)-2-oxoethyl] ester
2,3-dihydro-1,4-benzodioxine-7-carboxylic acid [2-(benzyl-isopropyl-amino)-2-keto-ethyl] ester
[2-oxo-2-(phenylmethyl-propan-2-yl-amino)ethyl] 2,3-dihydro-1,4-benzodioxine-7-carboxylate
SMR000062648
T0515-5507
ZINC03301265
MLS000035991

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0413	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Echinococcus granulosus	cysteine protease	0.0213	0.4583	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2521	0.2461
Echinococcus multilocularis	cysteine protease	0.0413	1	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.3492	0.335
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0076	0.0889	0.5
Toxoplasma gondii	cathepsin CPC2	0.0076	0.0889	0.0493
Entamoeba histolytica	cysteine proteinase, putative	0.0413	1	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.8684	0.8655
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.3492	0.2857
Echinococcus multilocularis	cathepsin L	0.0076	0.0889	0.0889
Trypanosoma cruzi	cysteine proteinase, putative	0.0213	0.4583	0.4465
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0076	0.0889	0.0816
Toxoplasma gondii	cathepsin B	0.0076	0.0889	0.0493
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0076	0.0889	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0157	0.0078
Brugia malayi	Cathepsin L-like precursor	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0076	0.0889	0.0691
Brugia malayi	Papain family cysteine protease containing protein	0.0213	0.4583	0.4541
Brugia malayi	cathepsin F-like cysteine proteinase	0.0076	0.0889	0.0818
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.4583	0.4054
Giardia lamblia	Cathepsin L-like protease	0.0076	0.0889	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0413	1	1
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0893	0.0004
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0413	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Plasmodium vivax	vivapain-1	0.0213	0.4583	0.4054
Echinococcus multilocularis	cathepsin b	0.0076	0.0889	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2521	0.2461
Entamoeba histolytica	cysteine protease, putative	0.0413	1	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.8684	0.8655
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0213	0.4583	0.4465
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Brugia malayi	Cathepsin L-like precursor	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0076	0.0889	0.5
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0076	0.0889	0.0818
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0516	0.031
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Leishmania major	cathepsin L-like protease	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0413	1	1
Brugia malayi	Cathepsin L-like precursor	0.0137	0.2521	0.2463
Brugia malayi	fibroinase precursor	0.0076	0.0889	0.0818
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.4583	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0413	1	1
Echinococcus multilocularis	cathepsin L	0.0213	0.4583	0.4583
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0277	0.6306	0.6226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0076	0.0889	0.0691
Echinococcus granulosus	cathepsin L cysteine protease	0.0213	0.4583	0.4583
Echinococcus multilocularis	cathepsin L cysteine protease	0.0413	1	1
Brugia malayi	Cathepsin L-like precursor	0.0413	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0277	0.6306	0.6278
Onchocerca volvulus		0.0413	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0776	0.0776
Plasmodium vivax	unspecified product	0.0137	0.2521	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0277	0.6306	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0277	0.6306	0.5946
Giardia lamblia	Hypothetical protein	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0076	0.0889	0.0818
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0413	1	1
Giardia lamblia	Cysteine protease	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Giardia lamblia	Hypothetical protein	0.0076	0.0889	0.5
Giardia lamblia	Cysteine protease	0.0076	0.0889	0.5
Echinococcus granulosus	cathepsin b	0.0076	0.0889	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1135	0.1064
Brugia malayi	cathepsin L precursor	0.0076	0.0889	0.0818
Leishmania major	cysteine peptidase A (CPA)	0.0413	1	1
Giardia lamblia	Cysteine protease	0.0076	0.0889	0.5
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0213	0.4583	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Brugia malayi	Cathepsin L-like precursor	0.0277	0.6306	0.6278
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Plasmodium vivax	vivapain-2	0.0413	1	1
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2521	0.2461
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0413	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0413	1	1
Giardia lamblia	Cathepsin L-like protease	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Loa Loa (eye worm)	fibroinase	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0413	1	1
Leishmania major	cathepsin L-like protease	0.0413	1	1
Loa Loa (eye worm)	cysteine protease	0.0413	1	1
Brugia malayi	Cathepsin L-like precursor	0.0277	0.6306	0.6278
Leishmania major	cathepsin L-like protease	0.0413	1	1
Echinococcus granulosus	cathepsin L	0.0213	0.4583	0.4583
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.4583	0.4054
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0076	0.0889	0.5
Echinococcus granulosus	cathepsin b	0.0076	0.0889	0.0889
Trypanosoma cruzi	major cysteine proteinase, putative	0.0076	0.0889	0.0691
Trypanosoma cruzi	cysteine peptidase, putative	0.0413	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0213	0.4583	0.4465
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Loa Loa (eye worm)	hypothetical protein	0.0277	0.6306	0.6277
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.8684	0.8555
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Plasmodium vivax	unspecified product	0.0213	0.4583	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Leishmania major	cathepsin L-like protease	0.0413	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.4583	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0213	0.4583	0.4541
Giardia lamblia	Encystation-specific protease	0.0076	0.0889	0.5
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0076	0.0889	0.0818
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.4583	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.4583	0.4054
Loa Loa (eye worm)	ctsf protein	0.0413	1	1
Onchocerca volvulus		0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0277	0.6306	0.6277
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.4583	0.4054
Mycobacterium ulcerans	hypothetical protein	0.0192	0.4019	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0413	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0413	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.4583	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0413	1	1
Toxoplasma gondii	cathepsin CPL	0.0413	1	1
Giardia lamblia	Cathepsin L precursor	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0076	0.0889	0.0816
Leishmania major	cathepsin L-like protease	0.0413	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0277	0.6306	0.5946
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0413	1	1
Onchocerca volvulus		0.0277	0.6306	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Onchocerca volvulus		0.0413	1	1
Toxoplasma gondii	cathepsin CPC1	0.0076	0.0889	0.0493
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0213	0.4583	0.4465
Brugia malayi	cathepsin L-like precursor	0.0277	0.6306	0.6278
Schistosoma mansoni	cathepsin s	0.0137	0.2521	0.1791
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.4583	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Cysteine protease	0.0076	0.0889	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0137	0.2521	0.2358
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Plasmodium vivax	vivapain-2	0.0413	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0413	1	1
Loa Loa (eye worm)	cathepsin B	0.0076	0.0889	0.0816
Brugia malayi	Papain family cysteine protease containing protein	0.0076	0.0889	0.0818
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.4019	0.5
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.3492	0.335
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Echinococcus multilocularis	cysteine protease	0.0413	1	1
Onchocerca volvulus		0.0413	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0137	0.2521	0.2463
Leishmania major	cathepsin L-like protease	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0076	0.0889	0.0691
Echinococcus granulosus	cathepsin l1	0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Plasmodium vivax	vivapain-3	0.0213	0.4583	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0413	1	1
Leishmania major	cathepsin L-like protease	0.0413	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0076	0.0889	0.0816
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Onchocerca volvulus		0.0413	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0219	0.0141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0213	0.4583	0.4465
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0413	1	1
Brugia malayi	Bromodomain containing protein	0.0091	0.1275	0.1207
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0413	1	1
Echinococcus granulosus	cathepsin l1	0.0277	0.6306	0.6306
Schistosoma mansoni	cathepsin F (C01 family)	0.0413	1	1
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Echinococcus multilocularis	cathepsin b	0.0076	0.0889	0.0889
Echinococcus multilocularis	cathepsin L cysteine protease	0.0413	1	1
Leishmania major	cathepsin L-like protease	0.0413	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0076	0.0889	0.0691
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0413	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0413	1	1
Loa Loa (eye worm)	hypothetical protein	0.0277	0.6306	0.6277
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0776	0.0776
Brugia malayi	Cathepsin L-like precursor	0.0413	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0213	0.4583	0.4465
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0137	0.2521	0.2461
Entamoeba histolytica	cysteine proteinase, putative	0.0413	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0213	0.4583	0.4054
Echinococcus granulosus	cathepsin L	0.0076	0.0889	0.0889
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0277	0.6306	0.5946
Onchocerca volvulus		0.0413	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0213	0.4583	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0213	0.4583	0.4465
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0076	0.0889	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.8684	0.8655
Brugia malayi	cathepsin B-like cysteine proteinase	0.0076	0.0889	0.0818
Brugia malayi	Papain family cysteine protease containing protein	0.0076	0.0889	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0889	0.0816
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0413	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0137	0.2521	0.2358
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0413	1	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0889	0.5
Entamoeba histolytica	cysteine protease, putative	0.0213	0.4583	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0076	0.0889	0.0818
Brugia malayi	cathepsin L-like cysteine proteinase	0.0076	0.0889	0.0818
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0413	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0137	0.2521	0.2463
Onchocerca volvulus		0.0413	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (binding)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 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

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: CHEMBL1594479

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1444990