TDR Targets

Basic information

Technical information

TDR Targets ID: 1406929
Name: 3-(3-chloro-4-methylphenyl)-1-[3-(2-oxopyrrol idin-1-yl)propyl]urea
MW: 309.791 | Formula: C15H20ClN3O2
H donors: 2 H acceptors: 2 LogP: 1.84 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)Cl)C)NCCCN1CCCC1=O
InChi: 1S/C15H20ClN3O2/c1-11-5-6-12(10-13(11)16)18-15(21)17-7-3-9-19-8-2-4-14(19)20/h5-6,10H,2-4,7-9H2,1H3,(H2,17,18,21)
InChiKey: OWSHUQGRZXBNAC-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

3-(3-chloro-4-methyl-phenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]urea
3-(3-chloro-4-methylphenyl)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
3-(3-chloro-4-methyl-phenyl)-1-[3-(2-ketopyrrolidin-1-yl)propyl]urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	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	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Loa Loa (eye worm)	calpain family protein 1	0.0791	0.7985	0.8092
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Leishmania major	kinesin, putative	0.0209	0.1765	0.5983
Trichomonas vaginalis	calpain, putative	0.009	0.0494	0.1657
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0319	0.2945	1
Trypanosoma brucei	Calpain-like protein CALP1.3	0.009	0.0494	0.1657
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Echinococcus multilocularis	g-protein coupled receptor	0.0083	0.0421	0.0421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Echinococcus granulosus	neuropeptides capa receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	neuropeptide receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0967	0.9867	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0083	0.0421	0.0421
Echinococcus granulosus	calpain A	0.0826	0.8368	0.8481
Brugia malayi	calpain 7	0.0298	0.2723	0.276
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0083	0.0421	0.0421
Trypanosoma brucei	calpain, putative	0.009	0.0494	0.1657
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0083	0.0421	0.0421
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Trypanosoma brucei	calpain-like protein, putative	0.0298	0.2723	0.9244
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.2755
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0826	0.8368	0.8481
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0083	0.0421	0.0421
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0083	0.0421	0.0426
Brugia malayi	G protein-coupled receptor F59B2.13	0.0083	0.0421	0.0426
Leishmania major	calpain protease-like protein	0.009	0.0494	0.1657
Echinococcus multilocularis	orexin receptor type 2	0.0083	0.0421	0.0421
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0967	0.9867	1
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.9244
Echinococcus multilocularis	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus granulosus	tubulin beta 4A class IVa	0.0044	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	calpain-7 (C02 family)	0.0298	0.2723	0.276
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.2755
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Giardia lamblia	Cathepsin B precursor	0.0319	0.2945	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Echinococcus granulosus	beta tubulin	0.0044	0.0007	0.0007
Echinococcus multilocularis	beta tubulin	0.0044	0.0007	0.0007
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Brugia malayi	Serotonin receptor	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	opsin-like receptor	0.0083	0.0421	0.0426
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0179	0.0181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.0421	0.0421
Brugia malayi	Dopamine receptor protein 1	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	hypothetical protein	0.009	0.0494	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.009	0.0494	0.0494
Brugia malayi	RE15519p	0.0083	0.0421	0.0426
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Echinococcus granulosus	7tm_1 domain containing protein	0.0083	0.0421	0.0426
Echinococcus granulosus	7TM GPCR rhodopsin	0.0083	0.0421	0.0426
Brugia malayi	putative neuropeptide receptor	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Echinococcus multilocularis	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0083	0.0421	0.042
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Echinococcus multilocularis	somatostatin receptor	0.0083	0.0421	0.0421
Trypanosoma brucei	Calpain-like protein 1.2	0.009	0.0494	0.1657
Echinococcus multilocularis	dro:myosuppressin receptor	0.0083	0.0421	0.0421
Echinococcus granulosus	allatostatin A receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.009	0.0494	0.0494
Schistosoma mansoni	biogenic amine receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0967	0.9867	1
Echinococcus granulosus	neuropeptides capa receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	g-protein coupled receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	allatostatin A receptor	0.0083	0.0421	0.0421
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.0421	0.0421
Plasmodium vivax	calpain, putative	0.0298	0.2723	1
Trypanosoma brucei	Calpain-like protein 1.1	0.009	0.0494	0.1657
Echinococcus granulosus	calpain A	0.0298	0.2723	0.276
Echinococcus granulosus	g protein coupled receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	hypothetical protein	0.0083	0.0421	0.0426
Loa Loa (eye worm)	calpain family protein 1	0.0582	0.5756	0.5831
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0179	0.0175
Trypanosoma cruzi	kinesin, putative	0.0209	0.1765	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.9244
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0083	0.0421	0.042
Echinococcus granulosus	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus granulosus	beta tubulin	0.0044	0.0007	0.0007
Entamoeba histolytica	tubulin family protein	0.0044	0.0007	0.004
Brugia malayi	GnHR receptor homolog	0.0083	0.0421	0.0426
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Trypanosoma brucei	cytoskeleton-associated protein CAP5.5, putative	0.009	0.0494	0.1657
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0319	0.2945	0.298
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Echinococcus multilocularis	neuropeptide Y receptor	0.0083	0.0421	0.0421
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0967	0.9867	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.2755
Trypanosoma brucei	cysteine peptidase, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0083	0.0421	0.042
Brugia malayi	calpain 5	0.0209	0.1765	0.1789
Schistosoma mansoni	neuropeptide F-like receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	neuropeptide F-like receptor	0.0083	0.0421	0.0426
Brugia malayi	Melatonin receptor type 1A	0.0083	0.0421	0.0426
Brugia malayi	beta-tubulin, identical	0.0044	0.0007	0.0007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0083	0.0421	0.0421
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	G-protein coupled receptor	0.0083	0.0421	0.042
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus granulosus	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0083	0.0421	0.0426
Echinococcus granulosus	sex peptide receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	biogenic amine receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Echinococcus multilocularis	neuropeptide receptor A26	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	hypothetical protein	0.0492	0.4798	0.4859
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	serotonin receptor	0.0083	0.0421	0.0421
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.0421	0.0426
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.0421	0.0426
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0083	0.0421	0.0426
Echinococcus granulosus	calpain	0.0298	0.2723	0.276
Trypanosoma brucei	kinesin, putative	0.0209	0.1765	0.5983
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0083	0.0421	0.0426
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	neuropeptide F receptor	0.0083	0.0421	0.042
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0826	0.8368	0.8481
Echinococcus granulosus	tubulin beta 1 chain	0.0044	0.0007	0.0007
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	adenoreceptor	0.0083	0.0421	0.0426
Entamoeba histolytica	tubulin family protein	0.0044	0.0007	0.004
Schistosoma mansoni	amine GPCR	0.0083	0.0421	0.0426
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0791	0.7985	0.8093
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Schistosoma mansoni	neuropeptide receptor	0.0083	0.0421	0.0426
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.009	0.0494	0.1657
Echinococcus granulosus	g protein coupled receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Giardia lamblia	Cathepsin B precursor	0.0319	0.2945	1
Loa Loa (eye worm)	calpain D	0.009	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0967	0.9867	1
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.009	0.0494	0.0494
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.2755
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.0421	0.0426
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0083	0.0421	0.0426
Plasmodium falciparum	calpain	0.009	0.0494	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.9244
Loa Loa (eye worm)	hypothetical protein	0.0773	0.7798	0.7902
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Loa Loa (eye worm)	hypothetical protein	0.0791	0.7985	0.8092
Schistosoma mansoni	neuropeptide f receptor 76f	0.0083	0.0421	0.0426
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus granulosus	cathepsin b	0.0967	0.9867	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	Serotonin receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Echinococcus granulosus	dro:myosuppressin receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0582	0.5756	0.5831
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	follicle stimulating hormone receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	biogenic amine 5HT receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0967	0.9867	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	cathepsin B-like cysteine proteinase	0.0967	0.9867	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.2755
Echinococcus granulosus	fmrfamide receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	calpain 5	0.0298	0.2723	0.276
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.0421	0.0426
Toxoplasma gondii	cathepsin B	0.0319	0.2945	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus multilocularis	tubulin beta 1 chain	0.0044	0.0007	0.0007
Schistosoma mansoni	neuropeptide receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Schistosoma mansoni	opsin-like receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	calpain 7 C02 family	0.0298	0.2723	0.276
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Entamoeba histolytica	protein kinase, putative	0.0209	0.1765	1
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus granulosus	serotonin receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	calpain 7 (C02 family)	0.0298	0.2723	0.2723
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Schistosoma mansoni	amine GPCR	0.0083	0.0421	0.0426
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.0421	0.0421
Toxoplasma gondii	hypothetical protein	0.009	0.0494	0.1657
Loa Loa (eye worm)	G-protein coupled receptor	0.0083	0.0421	0.042
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0083	0.0421	0.0426
Brugia malayi	putative neuropeptide receptor NPR1	0.0083	0.0421	0.0426
Brugia malayi	larval opioid receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	TYRA-2 protein	0.0083	0.0421	0.042
Leishmania major	hypothetical protein, conserved	0.009	0.0494	0.1657
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0083	0.0421	0.0421
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Echinococcus granulosus	neuropeptide receptor A26	0.0083	0.0421	0.0426
Echinococcus granulosus	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0083	0.0421	0.0426
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0209	0.1765	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0083	0.0421	0.042
Brugia malayi	ORL1-like opioid receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	cathepsin b	0.0967	0.9867	0.9867
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	neuropeptide receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	calpain (C02 family)	0.0298	0.2723	0.276
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Brugia malayi	neuropeptide F receptor	0.0083	0.0421	0.0426
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0083	0.0421	0.0421
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	tubulin subunit beta	0.0044	0.0007	0.0007
Echinococcus multilocularis	cathepsin b	0.0967	0.9867	0.9867
Schistosoma mansoni	hypothetical protein	0.0083	0.0421	0.0426
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0083	0.0421	0.0421
Echinococcus multilocularis	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Trypanosoma brucei	calpain-like protein, putative	0.0298	0.2723	0.9244
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0773	0.7798	0.7904
Loa Loa (eye worm)	melatonin receptor type 1A	0.0083	0.0421	0.042
Echinococcus multilocularis	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0044	0.0007	0.0007
Loa Loa (eye worm)	cathepsin B	0.0319	0.2945	0.298
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0773	0.7798	0.7798
Echinococcus granulosus	biogenic amine 5HT receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.2755
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	neuropeptide F receptor	0.0083	0.0421	0.042
Brugia malayi	calpain family protein 1	0.0791	0.7985	0.8093
Trypanosoma cruzi	conserved protein	0.009	0.0494	0.0494
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0083	0.0421	0.0426
Brugia malayi	G-protein coupled receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	neuropeptide receptor	0.0083	0.0421	0.0421
Brugia malayi	G protein-coupled receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus granulosus	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.0421	0.0426
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.2755
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.9244
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0083	0.0421	0.0426
Leishmania major	calpain family cysteine protease-like protein	0.009	0.0494	0.1657
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.9244
Echinococcus granulosus	G protein coupled receptor 139	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	fmrfamide receptor	0.0083	0.0421	0.0421
Leishmania major	hypothetical protein, unknown function	0.009	0.0494	0.1657
Trichomonas vaginalis	hypothetical protein	0.009	0.0494	0.1657
Schistosoma mansoni	calpain C (C02 family)	0.0298	0.2723	0.276
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	biogenic amine receptor	0.0083	0.0421	0.0426
Trypanosoma brucei	antigen, putative	0.0298	0.2723	0.9244
Schistosoma mansoni	amine GPCR	0.0083	0.0421	0.0426
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.009	0.0494	0.0494
Echinococcus multilocularis	calpain family protein 1, d	0.0582	0.5756	0.5756
Trypanosoma brucei	calpain, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	amine GPCR	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	hypothetical protein	0.0083	0.0421	0.0426
Loa Loa (eye worm)	calpain 5	0.0209	0.1765	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma brucei	Calpain-like protein 2	0.009	0.0494	0.1657
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0083	0.0421	0.0421
Trypanosoma brucei	glucosamine 6-phosphate n-acetyltransferase	0.009	0.0494	0.1657
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0083	0.0421	0.0426
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0298	0.2723	0.2755
Entamoeba histolytica	calpain family cysteine protease, putative	0.009	0.0494	0.2799
Echinococcus multilocularis	hypothetical protein	0.0298	0.2723	0.2723
Trichomonas vaginalis	calpain, putative	0.009	0.0494	0.1657
Brugia malayi	AKH receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	neuropeptide s receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	orexin receptor type 2	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0083	0.0421	0.0426
Echinococcus granulosus	cathepsin b	0.0967	0.9867	1
Loa Loa (eye worm)	hypothetical protein	0.0701	0.7027	0.712
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	Tubulin beta-1 chain	0.0044	0.0007	0.0007
Schistosoma mansoni	opsin-like receptor	0.0083	0.0421	0.0426
Onchocerca volvulus		0.0492	0.4798	1
Trichomonas vaginalis	calpain, putative	0.009	0.0494	0.1657
Echinococcus multilocularis	beta tubulin	0.0044	0.0007	0.0007
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0298	0.2723	0.276
Echinococcus multilocularis	neuropeptides capa receptor	0.0083	0.0421	0.0421
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Schistosoma mansoni	hypothetical protein	0.0083	0.0421	0.0426
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.0421	0.0426
Giardia lamblia	Cathepsin B precursor	0.0319	0.2945	1
Loa Loa (eye worm)	calpain	0.0298	0.2723	0.2755
Loa Loa (eye worm)	hypothetical protein	0.006	0.0179	0.0175
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	growth hormone secretagogue receptor	0.0083	0.0421	0.0426
Brugia malayi	Dopamine receptor protein 2	0.0083	0.0421	0.0426
Echinococcus granulosus	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0083	0.0421	0.0426
Echinococcus multilocularis	neuropeptide receptor	0.0083	0.0421	0.0421
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0826	0.8368	0.8481
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Echinococcus multilocularis	G protein coupled receptor 139	0.0083	0.0421	0.0421
Echinococcus multilocularis	neuropeptide s receptor	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	calpain	0.0298	0.2723	0.2723
Echinococcus granulosus	neuropeptide receptor	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	fmrfamide receptor	0.0083	0.0421	0.0421
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.009	0.0494	0.1657
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0298	0.2723	0.2755
Echinococcus granulosus	neuropeptide Y receptor	0.0083	0.0421	0.0426
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0319	0.2945	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0179	0.0181
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0826	0.8368	0.8368
Schistosoma mansoni	calpain-2 (C02 family)	0.009	0.0494	0.0501
Leishmania major	calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Echinococcus granulosus	g protein coupled receptor	0.0083	0.0421	0.0426
Brugia malayi	Dopamine receptor	0.0083	0.0421	0.0426
Echinococcus granulosus	neuropeptide FF receptor 2	0.0773	0.7798	0.7904
Trypanosoma brucei	calpain-like protein, putative	0.0298	0.2723	0.9244
Brugia malayi	sulfakinin receptor protein	0.0083	0.0421	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.2945	0.2985
Brugia malayi	G-protein coupled receptor	0.0083	0.0421	0.0426
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.009	0.0494	0.0494
Echinococcus granulosus	neuropeptide Y receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	serotonin receptor	0.0083	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0319	0.2945	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0494	0.1657
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0083	0.0421	0.042
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	calpain family protein 1	0.0791	0.7985	0.8093
Echinococcus multilocularis	calpain A	0.0826	0.8368	0.8368
Echinococcus multilocularis	sex peptide receptor	0.0083	0.0421	0.0421
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.0494
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Echinococcus granulosus	hypothetical protein	0.0083	0.0421	0.0426
Echinococcus granulosus	somatostatin receptor	0.0083	0.0421	0.0426
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0083	0.0421	0.0426
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Schistosoma mansoni	histamine h1 receptor	0.0083	0.0421	0.0426
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.0421	0.0421
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0083	0.0421	0.0426
Brugia malayi	neuropeptide F receptor	0.0083	0.0421	0.0426
Schistosoma mansoni	amine GPCR	0.0083	0.0421	0.0426
Schistosoma mansoni	myosin xvIII	0.0083	0.0421	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Trypanosoma brucei	calpain-like protein, putative	0.0298	0.2723	0.9244
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.0421	0.0426
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Schistosoma mansoni	calpain-7 (C02 family)	0.0298	0.2723	0.276
Schistosoma mansoni	neuropeptide receptor	0.0083	0.0421	0.0426
Toxoplasma gondii	calpain family cysteine protease domain-containing protein	0.009	0.0494	0.1657
Leishmania major	cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative	0.009	0.0494	0.1657
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0298	0.2723	0.2755
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0083	0.0421	0.0421
Trypanosoma cruzi	kinesin, putative	0.0209	0.1765	0.1783
Echinococcus multilocularis	calpain 5	0.0298	0.2723	0.2723
Schistosoma mansoni	tubulin subunit beta	0.0044	0.0007	0.0007
Trypanosoma brucei	hypothetical protein	0.009	0.0494	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0421	0.042
Brugia malayi	calpain D	0.009	0.0494	0.0501
Brugia malayi	calpain 5	0.009	0.0494	0.0501
Echinococcus granulosus	Tubulin beta 2C chain	0.0044	0.0007	0.0007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.0421	0.0421
Brugia malayi	hypothetical protein	0.0083	0.0421	0.0426
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.009	0.0494	0.0494

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5733 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3535 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1544255

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1406929