TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.782 | Formula: C13H10ClN7O2S
H donors: 1 H acceptors: 5 LogP: 2.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1n[nH]c(c1)c1nnc(n1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])S
InChi: 1S/C13H10ClN7O2S/c1-7-4-11(17-16-7)12-18-19-13(24)20(12)15-6-8-5-9(21(22)23)2-3-10(8)14/h2-6H,1H3,(H,16,17)(H,19,24)/b15-6+
InChiKey: AOQJSHAJGFWZGF-GIDUJCDVSA-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
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Trypanosoma brucei	hypothetical protein, conserved	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trypanosoma brucei	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma congolense	HpcH/HpaI aldolase/citrate lyase family, putative	Get druggable targets OG5_146801	All targets in OG5_146801
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania donovani	HpcH/HpaI aldolase/citrate lyase family, putative	Get druggable targets OG5_146801	All targets in OG5_146801
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	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	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917

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 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0037	0.0034	0.0084
Loa Loa (eye worm)	hypothetical protein	0.005	0.0458	0.0458
Onchocerca volvulus		0.016	0.412	0.4958
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.016	0.412	0.412
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Loa Loa (eye worm)	ctsf protein	0.016	0.412	0.412
Entamoeba histolytica	cysteine protease, putative	0.016	0.412	1
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.1218	0.1218
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0034	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0638	0.0638
Loa Loa (eye worm)	hypothetical protein	0.005	0.0458	0.0458
Echinococcus multilocularis	cathepsin L	0.0037	0.0034	0.0034
Toxoplasma gondii	cathepsin CPC1	0.0037	0.0034	0.0084
Plasmodium vivax	serine-repeat antigen (SERA)	0.0037	0.0034	0.0084
Plasmodium vivax	vivapain-2	0.016	0.412	1
Echinococcus granulosus	cathepsin L	0.0087	0.1691	0.1691
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0247	0.0599
Echinococcus granulosus	cathepsin L cysteine proteinase	0.016	0.412	0.412
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0037	0.0034	0.0034
Echinococcus multilocularis	cysteine protease	0.016	0.412	0.412
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0218	0.0218
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0218	0.0218
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.412	0.41
Giardia lamblia	Cathepsin B precursor	0.013	0.3117	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Giardia lamblia	Cathepsin B precursor	0.013	0.3117	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.043	0.043
Echinococcus granulosus	cathepsin l cysteine peptidase	0.016	0.412	0.412
Loa Loa (eye worm)	hypothetical protein	0.016	0.412	0.412
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.7342	0.7333
Echinococcus granulosus	cathepsin l1	0.016	0.412	0.412
Echinococcus multilocularis	cathepsin L cysteine protease	0.016	0.412	0.412
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0638	0.0638
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0037	0.0034	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Brugia malayi	Papain family cysteine protease containing protein	0.0087	0.1691	0.1691
Schistosoma mansoni	cathepsin s	0.005	0.0458	0.0458
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0037	0.0034	0.0034
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.013	0.3117	0.4045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.2464	0.2935
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0247	0.0247
Echinococcus granulosus	cathepsin L	0.0037	0.0034	0.0034
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.1691	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.011	0.2464	0.2438
Onchocerca volvulus	Cathepsin L homolog	0.0037	0.0034	0.0041
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Echinococcus granulosus	cathepsin l1	0.011	0.2464	0.2464
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0037	0.0034	0.0034
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0037	0.0034	0.0034
Onchocerca volvulus		0.0043	0.0247	0.0297
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.1691	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0247	0.0213
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0087	0.1691	0.1662
Echinococcus granulosus	cathepsin L cysteine protease	0.0087	0.1691	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.412	0.41
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0037	0.0034	0.0034
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.412	0.41
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0638	0.0638
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.2635	0.2635
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.1847	0.1847
Entamoeba histolytica	cysteine proteinase 1, putative	0.0087	0.1691	0.4054
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1239	0.1239
Brugia malayi	Pre-SET motif family protein	0.0251	0.7157	0.7157
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Toxoplasma gondii	ABC1 family protein	0.0043	0.0247	0.0599
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Echinococcus multilocularis	cathepsin L cysteine protease	0.016	0.412	0.412
Trypanosoma cruzi	cysteine proteinase, putative	0.0087	0.1691	0.1662
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0247	0.0257
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.016	0.412	0.412
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0037	0.0034	0.0084
Brugia malayi	Cathepsin L-like precursor	0.011	0.2464	0.2464
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0037	0.0034	0.0084
Onchocerca volvulus		0.016	0.412	0.4958
Loa Loa (eye worm)	hypothetical protein	0.005	0.0458	0.0458
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0087	0.1691	0.1691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0247	0.0247
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Onchocerca volvulus		0.0286	0.8311	1
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Onchocerca volvulus	Cathepsin L homolog	0.016	0.412	0.4958
Trypanosoma cruzi	cysteine peptidase, putative	0.005	0.0458	0.0425
Echinococcus multilocularis	geminin	0.0205	0.5604	0.5604
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0037	0.0034	0.0034
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.016	0.412	0.412
Loa Loa (eye worm)	fibroinase	0.016	0.412	0.412
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0037	0.0034	0.0084
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0337	1	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0037	0.0034	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Onchocerca volvulus		0.016	0.412	0.4958
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Plasmodium vivax	unspecified product	0.0087	0.1691	0.4104
Onchocerca volvulus		0.0043	0.0247	0.0297
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0037	0.0034	0.0034
Brugia malayi	cathepsin F-like cysteine proteinase	0.005	0.0458	0.0458
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.016	0.412	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0037	0.0034	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Trypanosoma brucei	hypothetical protein, conserved	0.0257	0.7342	1
Brugia malayi	jmjC domain containing protein	0.0115	0.2635	0.2635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.005	0.0458	0.0458
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0037	0.0034	0.0034
Onchocerca volvulus		0.016	0.412	0.4958
Loa Loa (eye worm)	hypothetical protein	0.011	0.2464	0.2464
Echinococcus granulosus	cathepsin b	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.1691	0.2001
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0037	0.0034	0.0034
Toxoplasma gondii	cathepsin CPC2	0.0037	0.0034	0.0084
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0247	0.0257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Brugia malayi	jmjC domain containing protein	0.0043	0.0218	0.0218
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0087	0.1691	0.1691
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0337	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0247	0.0247
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1239	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0087	0.1691	0.4054
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0247	0.5
Trypanosoma brucei	cysteine peptidase C (CPC)	0.013	0.3117	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.016	0.412	0.4937
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0218	0.0218
Brugia malayi	Cathepsin L-like precursor	0.011	0.2464	0.2464
Echinococcus granulosus	geminin	0.0205	0.5604	0.5604
Loa Loa (eye worm)	hypothetical protein	0.011	0.2464	0.2464
Plasmodium vivax	vivapain-2	0.016	0.412	1
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0087	0.1691	0.1662
Echinococcus granulosus	cathepsin b	0.0337	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0247	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.005	0.0458	0.0458
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Plasmodium vivax	serine-repeat antigen (SERA)	0.0037	0.0034	0.0084
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.016	0.412	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Brugia malayi	Cathepsin L-like cysteine proteinase	0.011	0.2464	0.2464
Trichomonas vaginalis	esterase, putative	0.0043	0.0247	0.0257
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0247	0.0257
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0037	0.0034	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Trypanosoma cruzi	cruzipain precursor, putative	0.005	0.0458	0.0425
Leishmania major	hypothetical protein, conserved	0.0257	0.7342	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1239	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0247	0.0247
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.412	0.41
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0218	0.0218
Schistosoma mansoni	cathepsin F (C01 family)	0.016	0.412	0.412
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.1691	0.2035
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0638	0.0638
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.2635	0.2635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.1691	0.2001
Onchocerca volvulus		0.016	0.412	0.4958
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0638	0.0638
Toxoplasma gondii	cathepsin B	0.013	0.3117	0.7564
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Brugia malayi	Papain family cysteine protease containing protein	0.016	0.412	0.412
Onchocerca volvulus		0.0043	0.0247	0.0297
Schistosoma mansoni	cathepsin S (C01 family)	0.0037	0.0034	0.0034
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0247	0.0213
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Brugia malayi	fibroinase precursor	0.0037	0.0034	0.0034
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Onchocerca volvulus		0.016	0.412	0.4958
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0247	0.0247
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0087	0.1691	0.1691
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0034	0.0034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.043	0.043
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.013	0.3117	0.3724
Entamoeba histolytica	cysteine proteinase, putative	0.016	0.412	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1239	0.3008
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.7157	0.7157
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0247	0.0257
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1239	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1239	0.1239
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0247	0.0247
Brugia malayi	cathepsin L-like precursor	0.011	0.2464	0.2464
Loa Loa (eye worm)	hypothetical protein	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0037	0.0034	0.0084
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.016	0.412	0.412
Brugia malayi	Papain family cysteine protease containing protein	0.0087	0.1691	0.1691
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0037	0.0034	0.0084
Schistosoma mansoni	hypothetical protein	0.0205	0.5604	0.5604
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.7342	0.7333
Giardia lamblia	Cathepsin B precursor	0.013	0.3117	1
Brugia malayi	Cathepsin L-like precursor	0.005	0.0458	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0247	0.0247
Plasmodium vivax	unspecified product	0.0037	0.0034	0.0084
Schistosoma mansoni	cathepsin F (C01 family)	0.011	0.2464	0.2464
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1239	0.1239
Toxoplasma gondii	cathepsin CPL	0.016	0.412	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0638	0.0638
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0247	0.0257
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.016	0.412	1
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Loa Loa (eye worm)	cysteine protease	0.016	0.412	0.412
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0037	0.0034	0.0034
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0037	0.0034	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Plasmodium vivax	vivapain-3	0.0087	0.1691	0.4104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Trypanosoma cruzi	cysteine peptidase, putative	0.0087	0.1691	0.1662
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.1691	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.013	0.3117	0.3117
Echinococcus granulosus	cysteine protease	0.0087	0.1691	0.1691
Loa Loa (eye worm)	hypothetical protein	0.011	0.2464	0.2464
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.8036	1
Onchocerca volvulus		0.016	0.412	0.4958
Trypanosoma cruzi	cruzipain precursor, putative	0.016	0.412	0.41
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0247	0.0247
Entamoeba histolytica	cysteine proteinase, putative	0.011	0.2464	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.1691	0.4054
Plasmodium vivax	vivapain-1	0.0087	0.1691	0.4104
Schistosoma mansoni	cathepsin B (C01 family)	0.0037	0.0034	0.0034
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.013	0.3117	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.1691	0.2035
Trypanosoma cruzi	cysteine protease, putative	0.0087	0.1691	0.1662
Brugia malayi	cathepsin L-like cysteine proteinase	0.0037	0.0034	0.0034
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1239	0.1239
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1239	0.1399
Onchocerca volvulus		0.011	0.2464	0.2965
Echinococcus multilocularis	cathepsin L	0.0087	0.1691	0.1691
Leishmania major	cathepsin L-like protease	0.016	0.412	0.5459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0638	0.0638
Leishmania major	cysteine peptidase A (CPA)	0.016	0.412	0.5459
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.8311	1
Loa Loa (eye worm)	cathepsin B	0.013	0.3117	0.3117
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0037	0.0034	0.0034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0247	0.0247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.016	0.412	0.4937
Schistosoma mansoni	cathepsin F (C01 family)	0.016	0.412	0.412
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.412	0.5459
Schistosoma mansoni	hypothetical protein	0.0205	0.5604	0.5604
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0037	0.0034	0.0034
Onchocerca volvulus		0.0037	0.0034	0.0041
Entamoeba histolytica	cysteine proteinase 2	0.0087	0.1691	0.4054
Plasmodium vivax	unspecified product	0.005	0.0458	0.1112
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Entamoeba histolytica	cysteine protease, putative	0.0087	0.1691	0.4054
Echinococcus multilocularis	cysteine protease	0.016	0.412	0.412
Brugia malayi	beta-lactamase family protein	0.0043	0.0247	0.0247
Entamoeba histolytica	cysteine proteinase, putative	0.016	0.412	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1239	0.1274
Brugia malayi	cathepsin F-like cysteine proteinase	0.0037	0.0034	0.0034
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0034	0.0034
Brugia malayi	cathepsin L precursor	0.0037	0.0034	0.0034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0638	0.0638
Brugia malayi	beta-lactamase	0.0043	0.0247	0.0247
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0638	0.0638
Onchocerca volvulus	Cathepsin L homolog	0.016	0.412	0.4958
Brugia malayi	Cathepsin L-like precursor	0.016	0.412	0.412
Onchocerca volvulus	Cathepsin F homolog	0.016	0.412	0.4958
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0037	0.0034	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.016	0.412	0.4937
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.2464	0.2935
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0218	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0034
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0037	0.0034	0.0084
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0037	0.0034	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.016	0.412	0.4937
Schistosoma mansoni	cathepsin C	0.0037	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.006	0.0808	0.0808

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 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)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 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)	17.7828 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	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)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL3211637

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1886847