TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.37 | Formula: C20H19NO3
H donors: 1 H acceptors: 2 LogP: 3.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N/C=C/1\C(=O)CC(CC1=O)c1ccccc1
InChi: 1S/C20H19NO3/c1-24-20-10-6-5-9-17(20)21-13-16-18(22)11-15(12-19(16)23)14-7-3-2-4-8-14/h2-10,13,15,21H,11-12H2,1H3/b16-13-
InChiKey: LNUPLWMQGRRJTE-SSZFMOIBSA-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	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
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
Brugia malayi	Cathepsin L-like precursor	0.0393	0.2322	0.2322
Echinococcus granulosus	cysteine protease	0.0313	0.1828	0.1751
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.0567	0.0567
Entamoeba histolytica	cysteine proteinase, putative	0.0565	0.3382	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.0769	0.0682
Entamoeba histolytica	cysteine proteinase, putative	0.0313	0.1828	0.5225
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0345	0.5
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0565	0.3382	0.3319
Schistosoma mansoni	hypothetical protein	0.0075	0.0354	0.0263
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0565	0.3382	1
Onchocerca volvulus		0.0565	0.3382	1
Loa Loa (eye worm)	hypothetical protein	0.0393	0.2322	0.2322
Schistosoma mansoni	cathepsin F (C01 family)	0.0393	0.2322	0.225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.0567	0.0567
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.0567	0.0567
Entamoeba histolytica	cysteine proteinase, putative	0.0313	0.1828	0.5225
Trypanosoma cruzi	cysteine proteinase, putative	0.0313	0.1828	0.1147
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.0769	0.0769
Plasmodium vivax	vivapain-2	0.0565	0.3382	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.0726	0.0726
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0093	0.0093
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0093	0.0093
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0106	0.0106
Onchocerca volvulus		0.0182	0.102	0.2817
Schistosoma mansoni	hypothetical protein	0.0035	0.0106	0.0013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.0769	0.0769
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0142	0.0769	0.0769
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0354	0.0354
Brugia malayi	cathepsin L-like cysteine proteinase	0.0142	0.0769	0.0769
Loa Loa (eye worm)	cathepsin B	0.0604	0.3624	0.3624
Entamoeba histolytica	hypothetical protein	0.0142	0.0769	0.1969
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Onchocerca volvulus		0.0565	0.3382	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0128	0.0035
Trypanosoma cruzi	cysteine protease, putative	0.0313	0.1828	0.1147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0951	0.0951
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	Papain family cysteine protease containing protein	0.0313	0.1828	0.1828
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0345	0.5
Loa Loa (eye worm)	ctsf protein	0.0565	0.3382	0.3382
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Schistosoma mansoni	cathepsin S (C01 family)	0.0142	0.0769	0.0682
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Leishmania major	cathepsin L-like protease	0.0565	0.3382	0.9077
Leishmania major	cathepsin L-like protease	0.0615	0.369	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0313	0.1828	0.1751
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Plasmodium vivax	vivapain-3	0.0313	0.1828	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0093	0.0093
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.0769	0.0682
Trypanosoma cruzi	cysteine proteinase, putative	0.0313	0.1828	0.1147
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0313	0.1828	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0565	0.3382	0.3382
Trypanosoma cruzi	cysteine peptidase, putative	0.0615	0.369	0.3165
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0313	0.1828	0.1751
Onchocerca volvulus	Cathepsin L homolog	0.0142	0.0769	0.2054
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0142	0.0769	0.0769
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.0726	0.0726
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0128	0.0035
Toxoplasma gondii	cathepsin CPC1	0.0142	0.0769	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0565	0.3382	0.9152
Loa Loa (eye worm)	hypothetical protein	0.0565	0.3382	0.3382
Echinococcus multilocularis	cathepsin L cysteine protease	0.0565	0.3382	0.3319
Leishmania major	cathepsin L-like protease	0.0615	0.369	1
Entamoeba histolytica	cysteine protease, putative	0.0565	0.3382	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0093	0.0093
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Entamoeba histolytica	cysteine proteinase, putative	0.0313	0.1828	0.5225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0171	0.0951	0.0951
Schistosoma mansoni	cathepsin F (C01 family)	0.0565	0.3382	0.3319
Schistosoma mansoni	cathepsin C	0.0142	0.0769	0.0682
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0565	0.3382	1
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Onchocerca volvulus	Cathepsin F homolog	0.0565	0.3382	1
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Onchocerca volvulus	Cathepsin L homolog	0.0565	0.3382	1
Echinococcus granulosus	GPCR family 2	0.0035	0.0106	0.0013
Brugia malayi	cathepsin L-like precursor	0.0393	0.2322	0.2322
Echinococcus multilocularis	cathepsin L	0.0142	0.0769	0.0682
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Echinococcus granulosus	cathepsin L	0.0313	0.1828	0.1751
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0345	0.0254
Schistosoma mansoni	cathepsin B (C01 family)	0.0142	0.0769	0.0682
Echinococcus multilocularis	cysteine protease	0.0565	0.3382	0.3319
Schistosoma mansoni	cathepsin F (C01 family)	0.0565	0.3382	0.3319
Schistosoma mansoni	microtubule-associated protein tau	0.1513	0.9238	0.923
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0142	0.0769	0.0682
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0142	0.0769	0.0769
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Onchocerca volvulus	Cathepsin L homolog	0.0565	0.3382	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0604	0.3624	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0393	0.2322	0.5441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0565	0.3382	0.9152
Toxoplasma gondii	cathepsin B	0.0604	0.3624	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0567	0.0567
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0106	0.0106
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Brugia malayi	MH2 domain containing protein	0.0135	0.0726	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0951	0.0951
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0106	0.0013
Entamoeba histolytica	cysteine proteinase, putative	0.0393	0.2322	0.6744
Leishmania major	cysteine peptidase A (CPA)	0.0565	0.3382	0.9077
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Entamoeba histolytica	cysteine proteinase 1, putative	0.0313	0.1828	0.5225
Schistosoma mansoni	hypothetical protein	0.0035	0.0106	0.0013
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0604	0.3624	0.9801
Brugia malayi	cathepsin L precursor	0.0142	0.0769	0.0769
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0142	0.0769	0.0769
Toxoplasma gondii	cathepsin CPC2	0.0142	0.0769	0.1292
Brugia malayi	intermediate filament protein	0.0033	0.0093	0.0093
Plasmodium vivax	vivapain-2	0.0565	0.3382	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0171	0.0951	0.0951
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0393	0.2322	0.2322
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0128	0.0035
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0443	0.2631	0.2017
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0345	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0345	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.0769	0.0682
Brugia malayi	Cathepsin L-like precursor	0.0393	0.2322	0.2322
Echinococcus granulosus	microtubule associated protein 2	0.1513	0.9238	0.923
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0106	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Giardia lamblia	Cathepsin B precursor	0.0604	0.3624	1
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0393	0.2322	0.5441
Echinococcus granulosus	cathepsin l1	0.0393	0.2322	0.225
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0345	0.0254
Echinococcus granulosus	cathepsin L	0.0142	0.0769	0.0682
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0565	0.3382	0.3382
Onchocerca volvulus		0.0393	0.2322	0.6779
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Schistosoma mansoni	hypothetical protein	0.0205	0.1157	0.1073
Plasmodium vivax	unspecified product	0.0313	0.1828	0.4054
Schistosoma mansoni	hypothetical protein	0.0035	0.0106	0.0013
Giardia lamblia	Cathepsin B precursor	0.0604	0.3624	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0615	0.369	0.3165
Schistosoma mansoni	hypothetical protein	0.0205	0.1157	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0565	0.3382	0.3319
Echinococcus granulosus	cathepsin L cysteine protease	0.0313	0.1828	0.1751
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0604	0.3624	0.3564
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0142	0.0769	0.0769
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0142	0.0769	0.1969
Leishmania major	cathepsin L-like protease	0.0565	0.3382	0.9077
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0142	0.0769	0.0682
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0142	0.0769	0.0769
Entamoeba histolytica	cysteine proteinase 2	0.0313	0.1828	0.5225
Brugia malayi	cathepsin F-like cysteine proteinase	0.0142	0.0769	0.0769
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0171	0.0951	0.0198
Brugia malayi	Cathepsin L-like precursor	0.0171	0.0951	0.0951
Trypanosoma cruzi	major cysteine proteinase, putative	0.0192	0.1078	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0769	0.0769
Echinococcus multilocularis	microtubule associated protein 2	0.1513	0.9238	0.923
Plasmodium vivax	unspecified product	0.0171	0.0951	0.0698
Echinococcus multilocularis	cathepsin L	0.0313	0.1828	0.1751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Brugia malayi	cathepsin F-like cysteine proteinase	0.0171	0.0951	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0951	0.0951
Loa Loa (eye worm)	cysteine protease	0.0565	0.3382	0.3382
Brugia malayi	Cathepsin L-like precursor	0.0565	0.3382	0.3382
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0142	0.0769	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0393	0.2322	0.2322
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0345	0.0254
Echinococcus granulosus	cathepsin l1	0.0565	0.3382	0.3319
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0313	0.1828	0.371
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0313	0.1828	0.371
Giardia lamblia	Cathepsin B precursor	0.0604	0.3624	1
Onchocerca volvulus		0.0565	0.3382	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0565	0.3382	0.3319
Onchocerca volvulus		0.0565	0.3382	1
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0604	0.3624	0.9643
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Leishmania major	cathepsin L-like protease	0.0565	0.3382	0.9077
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0106	0.0013
Schistosoma mansoni	hypothetical protein	0.0035	0.0106	0.0013
Leishmania major	cathepsin L-like protease	0.0565	0.3382	0.9077
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0354	0.0354
Leishmania major	cathepsin L-like protease	0.0565	0.3382	0.9077
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0142	0.0769	0.1969
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Brugia malayi	Papain family cysteine protease containing protein	0.0565	0.3382	0.3382
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.0769	0.0682
Onchocerca volvulus		0.0565	0.3382	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0128	0.0035
Toxoplasma gondii	cathepsin CPL	0.0565	0.3382	0.9261
Entamoeba histolytica	cysteine proteinase, putative	0.0313	0.1828	0.5225
Brugia malayi	fibroinase precursor	0.0142	0.0769	0.0769
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0106	0.0013
Onchocerca volvulus		0.0565	0.3382	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0565	0.3382	0.3319
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0313	0.1828	0.1147
Onchocerca volvulus		0.0565	0.3382	1
Plasmodium vivax	vivapain-1	0.0313	0.1828	0.4054
Schistosoma mansoni	cathepsin s	0.0171	0.0951	0.0866
Trypanosoma cruzi	cysteine peptidase, putative	0.0171	0.0951	0.0198
Entamoeba histolytica	cysteine proteinase, putative	0.0565	0.3382	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0106	0.0106
Echinococcus granulosus	geminin	0.0205	0.1157	0.1073
Trypanosoma cruzi	cysteine peptidase, putative	0.0313	0.1828	0.1147
Loa Loa (eye worm)	fibroinase	0.0565	0.3382	0.3382
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.0769	0.0769
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0615	0.369	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0345	0.0254
Brugia malayi	Papain family cysteine protease containing protein	0.0313	0.1828	0.1828
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0565	0.3382	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0142	0.0769	0.1292
Brugia malayi	hypothetical protein	0.0182	0.102	0.102
Trypanosoma cruzi	cysteine peptidase, putative	0.0615	0.369	0.3165
Leishmania major	cathepsin L-like protease	0.0615	0.369	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Loa Loa (eye worm)	hypothetical protein	0.0032	0.009	0.009
Echinococcus multilocularis	geminin	0.0205	0.1157	0.1073
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0565	0.3382	0.3319
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0313	0.1828	0.1751
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Entamoeba histolytica	cysteine protease, putative	0.0313	0.1828	0.5225
Brugia malayi	hypothetical protein	0.0038	0.0128	0.0128
Trypanosoma cruzi	cysteine peptidase, putative	0.0565	0.3382	0.283
Echinococcus multilocularis	cysteine protease	0.0565	0.3382	0.3319
Trypanosoma cruzi	cruzipain precursor, putative	0.0615	0.369	0.3165
Onchocerca volvulus		0.0142	0.0769	0.2054
Entamoeba histolytica	cysteine protease, putative	0.0142	0.0769	0.1969
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0604	0.3624	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.102	0.102
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0142	0.0769	0.0682
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0106	0.0013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0565	0.3382	0.9152
Loa Loa (eye worm)	hypothetical protein	0.0393	0.2322	0.2322
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0565	0.3382	0.9152
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.0769	0.0682

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	8.1995 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 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)	32.6427 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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
Plasmodium falciparum	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: CHEMBL1976466

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1614797