TDR Targets

Basic information

Technical information

TDR Targets ID: 1272514
Name: MLS000760456
MW: 445.575 | Formula: C23H31N3O4S
H donors: 1 H acceptors: 3 LogP: 3.16 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CC(=O)Nc1cc(ccc1N1CCCC1)S(=O)(=O)N(CC)CC
InChi: 1S/C23H31N3O4S/c1-4-26(5-2)31(28,29)20-12-13-22(25-14-6-7-15-25)21(17-20)24-23(27)16-18-8-10-19(30-3)11-9-18/h8-13,17H,4-7,14-16H2,1-3H3,(H,24,27)
InChiKey: COWSKXNPUSKMRX-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

SMR000369715
T5295853

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	karyopherin (importin) beta 1		No references
Homo sapiens	snurportin 1		No references
Homo sapiens	RAN, member RAS oncogene family		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Toxoplasma gondii	HEAT repeat-containing protein	Get druggable targets OG5_127843	All targets in OG5_127843
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	importin-beta2	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Importin subunit beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Plasmodium knowlesi	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium berghei	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium falciparum	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Neospora caninum	GTP-binding nuclear protein Ran, related	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium knowlesi	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	importin beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania mexicana	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma congolense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania donovani	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	importin beta-1	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania infantum	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Babesia bovis	GTP-binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Mycobacterium tuberculosis	Probable 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
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Babesia bovis	importin beta subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	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	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K07936 GTP-binding nuclear protein Ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania major	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania major	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium yoelii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania donovani	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Theileria parva	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Cryptosporidium parvum	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei gambiense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium berghei	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma congolense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Neospora caninum	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	Get druggable targets OG5_131808	All targets in OG5_131808
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium yoelii	importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Snurportin-1, putative	Get druggable targets OG5_131808	All targets in OG5_131808
Plasmodium vivax	importin-beta 2, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_131808	All targets in OG5_131808
Leishmania infantum	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania mexicana	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Entamoeba histolytica	Ran family GTPase	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Importin subunit beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	RNA, U transporter 1	Get druggable targets OG5_131808	All targets in OG5_131808
Cryptosporidium parvum	importin/karyopherin	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei gambiense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Theileria parva	GTP-binding nuclear protein ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638

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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0063	0.0844	0.1981
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0063	0.0844	0.1319
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0184	0.4413	0.9913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0085	0.1481	0.2801
Schistosoma mansoni	hypothetical protein	0.0205	0.504	0.504
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.0325	0.0325
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Brugia malayi	Cathepsin L-like precursor	0.0058	0.0693	0.1557
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0188	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Leishmania major	cathepsin L-like protease	0.0178	0.4262	1
Onchocerca volvulus		0.0184	0.4413	0.9897
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0022	0.0022
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Schistosoma mansoni	tyrosinase precursor	0.0184	0.4413	0.4413
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	1	1
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Echinococcus granulosus	cathepsin b	0.0162	0.3764	0.3764
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0085	0.1481	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.4452	1
Onchocerca volvulus	Cathepsin F homolog	0.0085	0.1481	0.2097
Plasmodium vivax	vivapain-2	0.0085	0.1481	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Echinococcus multilocularis	cathepsin L cysteine protease	0.0085	0.1481	0.1481
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0753	0.1692
Echinococcus granulosus	cathepsin l1	0.0085	0.1481	0.1481
Echinococcus granulosus	cysteine protease	0.0046	0.0325	0.0325
Echinococcus multilocularis	cathepsin b	0.0162	0.3764	0.3764
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0162	0.3764	0.3764
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Onchocerca volvulus		0.0184	0.4413	0.9897
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.4452	1
Leishmania major	cathepsin L-like protease	0.0085	0.1481	0.2285
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3764	0.3764
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0085	0.1481	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1143	0.1347
Entamoeba histolytica	cysteine proteinase 1, putative	0.0046	0.0325	0.0685
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Onchocerca volvulus	Cathepsin L homolog	0.0085	0.1481	0.2097
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0184	0.4413	0.9913
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0162	0.3764	0.8735
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1143	0.1143
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0753	0.0753
Loa Loa (eye worm)	hypothetical protein	0.006	0.0753	0.0753
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0184	0.4413	0.9913
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.4452	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.4262	1
Leishmania major	cysteine peptidase A (CPA)	0.0085	0.1481	0.2285
Loa Loa (eye worm)	hypothetical protein	0.0149	0.3398	0.3398
Onchocerca volvulus	Cathepsin L homolog	0.0085	0.1481	0.2097
Trypanosoma cruzi	major cysteine proteinase, putative	0.0113	0.2318	0.5062
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.2468	0.2468
Onchocerca volvulus		0.0184	0.4413	0.9897
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0085	0.1481	0.1481
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.2468	0.2468
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0022	0.0022
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0046	0.0325	0.2196
Loa Loa (eye worm)	fibroinase	0.0085	0.1481	0.1481
Leishmania major	cathepsin L-like protease	0.0178	0.4262	1
Echinococcus multilocularis	snurportin 1	0.0372	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Entamoeba histolytica	cysteine protease, putative	0.0085	0.1481	0.3294
Schistosoma mansoni	tyrosinase precursor	0.0184	0.4413	0.4413
Schistosoma mansoni	hypothetical protein	0.0205	0.504	0.504
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Onchocerca volvulus		0.0085	0.1481	0.2097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Onchocerca volvulus		0.0085	0.1481	0.2097
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0325	0.0685
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.4262	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.0693	0.0891
Leishmania major	cathepsin L-like protease	0.0085	0.1481	0.2285
Onchocerca volvulus		0.0085	0.1481	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0693	0.0693
Echinococcus granulosus	cathepsin l1	0.0058	0.0693	0.0693
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0185	0.4452	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0657	0.0805
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0063	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0085	0.1481	0.1481
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0657	0.0805
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0185	0.4452	0.4452
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0325	0.0731
Trypanosoma cruzi	cruzipain precursor, putative	0.0178	0.4262	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0162	0.3764	0.3764
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0185	0.4452	1
Plasmodium vivax	vivapain-2	0.0085	0.1481	1
Echinococcus multilocularis	cysteine protease	0.0085	0.1481	0.1481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0085	0.1481	0.2936
Onchocerca volvulus		0.0085	0.1481	0.2097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0085	0.1481	0.2801
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Echinococcus multilocularis	cysteine protease	0.0085	0.1481	0.1481
Toxoplasma gondii	cathepsin B	0.0063	0.0844	0.5701
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0693	0.0693
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0162	0.3764	0.3764
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0085	0.1481	0.1481
Loa Loa (eye worm)	cathepsin B	0.0063	0.0844	0.0844
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0325	0.0763
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.0693	0.1516
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0753	0.1692
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0185	0.4452	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1143	0.1143
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Onchocerca volvulus		0.0085	0.1481	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0693	0.0693
Loa Loa (eye worm)	tyrosinase 1	0.0184	0.4413	0.4413
Brugia malayi	MH2 domain containing protein	0.0118	0.2468	0.5543
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0128	0.2761	1
Onchocerca volvulus		0.0149	0.3398	0.7196
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Brugia malayi	Common central domain of tyrosinase family protein	0.0184	0.4413	0.9913
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0184	0.4413	0.4413
Brugia malayi	Cathepsin L-like precursor	0.0058	0.0693	0.1557
Brugia malayi	Papain family cysteine protease containing protein	0.0085	0.1481	0.3327
Brugia malayi	cathepsin B-like cysteine proteinase	0.0162	0.3764	0.8455
Leishmania major	cathepsin L-like protease	0.0085	0.1481	0.2285
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0325	0.0731
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0325	0.0763
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0325	0.0685
Echinococcus multilocularis	cathepsin b	0.0162	0.3764	0.3764
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1143	0.1143
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Leishmania major	cathepsin L-like protease	0.0178	0.4262	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.4452	1
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0185	0.4452	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.4262	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0325	0.0685
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.0693	0.0891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Toxoplasma gondii	cathepsin CPL	0.0085	0.1481	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.4413	0.4413
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.0693	0.0693
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Leishmania major	cathepsin L-like protease	0.0085	0.1481	0.2285
Schistosoma mansoni	hypothetical protein	0.0036	0.0022	0.0022
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.0325	0.0325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.0657	0.1543
Plasmodium vivax	unspecified product	0.0046	0.0325	0.2196
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.0657	0.0844
Brugia malayi	hypothetical protein	0.0149	0.3398	0.7632
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Echinococcus multilocularis	cathepsin L	0.0046	0.0325	0.0325
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0063	0.0844	0.1258
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.4452	1
Leishmania major	cathepsin L-like protease	0.0085	0.1481	0.2285
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1481	0.1481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0085	0.1481	0.1481
Onchocerca volvulus		0.0085	0.1481	0.2097
Schistosoma mansoni	cathepsin F (C01 family)	0.0085	0.1481	0.1481
Brugia malayi	RNA, U transporter 1	0.0099	0.1906	0.428
Plasmodium vivax	vivapain-1	0.0046	0.0325	0.2196
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.4452	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0085	0.1481	0.1481
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.0657	0.0844
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Schistosoma mansoni	cathepsin F (C01 family)	0.0085	0.1481	0.1481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0063	0.0844	0.0519
Echinococcus granulosus	cathepsin L	0.0046	0.0325	0.0325
Schistosoma mansoni	hypothetical protein	0.0372	1	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0188	0.0188
Echinococcus granulosus	geminin	0.0205	0.504	0.504
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.0325	0.0325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Echinococcus multilocularis	geminin	0.0205	0.504	0.504
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Entamoeba histolytica	cysteine proteinase, putative	0.0085	0.1481	0.3294
Loa Loa (eye worm)	hypothetical protein	0.0184	0.4413	0.4413
Onchocerca volvulus		0.0184	0.4413	0.9897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0085	0.1481	0.2801
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1143	0.1143
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0162	0.3764	0.3764
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Brugia malayi	Cathepsin L-like precursor	0.0085	0.1481	0.3327
Onchocerca volvulus		0.0085	0.1481	0.2097
Brugia malayi	hypothetical protein	0.0036	0.0022	0.0048
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Onchocerca volvulus		0.0185	0.4452	1
Plasmodium vivax	vivapain-3	0.0046	0.0325	0.2196
Echinococcus granulosus	cathepsin b	0.0162	0.3764	0.3764
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0085	0.1481	0.2801
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0325	0.0685
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0085	0.1481	1
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0058	0.0693	0.1557
Brugia malayi	ShTK domain containing protein	0.0184	0.4413	0.9913
Echinococcus multilocularis	cathepsin L cysteine protease	0.0085	0.1481	0.1481
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0152	0.3474	0.7998
Loa Loa (eye worm)	ShTK domain-containing protein	0.0184	0.4413	0.4413
Loa Loa (eye worm)	ctsf protein	0.0085	0.1481	0.1481
Entamoeba histolytica	cysteine proteinase 2	0.0046	0.0325	0.0685
Loa Loa (eye worm)	cysteine protease	0.0085	0.1481	0.1481
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0325	0.0685
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0185	0.4452	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1143	0.7716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Brugia malayi	cathepsin L-like precursor	0.0058	0.0693	0.1557
Echinococcus granulosus	cathepsin L cysteine protease	0.0046	0.0325	0.0325
Entamoeba histolytica	cysteine proteinase, putative	0.0085	0.1481	0.3294
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0085	0.1481	0.1481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.4262	1
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0184	0.4413	0.9913

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.122 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)	2.0596 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	5.1735 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)	11.2202 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 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)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	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: CHEMBL1387129

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1272514