TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.475 | Formula: C21H23NO6S
H donors: 1 H acceptors: 5 LogP: 2.29 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
InChi: 1S/C21H23NO6S/c23-14-16-4-6-18(7-5-16)21(25)28-15-20(24)17-8-10-19(11-9-17)29(26,27)22-12-2-1-3-13-22/h4-11,23H,1-3,12-15H2
InChiKey: LINILPSDHRLFPH-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0529	0.0355
Leishmania major	DNA polymerase kappa, putative	0.0046	0.3488	0.3368
Schistosoma mansoni	hypothetical protein	0.0039	0.273	0.273
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0046	0.3488	0.3368
Toxoplasma gondii	isocitrate dehydrogenase	0.0018	0.0529	0.1079
Brugia malayi	hypothetical protein	0.0041	0.2959	0.2959
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.4629	0.4629
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Mycobacterium ulcerans	polyketide synthase Pks13	0.0043	0.3107	0.4725
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Plasmodium falciparum	small ubiquitin-related modifier	0.006	0.4905	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.2959	0.2959
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0028	0.1624	0.4097
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0529	0.0529
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0068	0.576	0.576
Trichomonas vaginalis	DNA polymerase eta, putative	0.0069	0.5895	0.5895
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0529	0.0529
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.4905	0.4905
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.3686	0.3686
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trypanosoma cruzi	polo-like protein kinase, putative	0.0108	1	1
Brugia malayi	SET domain containing protein	0.0014	0.0132	0.0132
Onchocerca volvulus		0.0015	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0526	0.0526
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.2226	0.2083
Onchocerca volvulus		0.0035	0.2313	0.2313
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0108	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.4257	0.4257
Mycobacterium ulcerans	thioesterase TesA	0.0024	0.1125	0.0975
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Brugia malayi	hypothetical protein	0.0037	0.2503	0.2503
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Loa Loa (eye worm)	fatty acid synthase	0.0028	0.1584	0.1584
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0013	0.00000000024598	0.0000000005015
Schistosoma mansoni	chromobox protein	0.008	0.7015	0.7015
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0529	0.0529
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0013	0.00000000024598	0.00000000024598
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0018	0.0571	0.1165
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0526	0.0526
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0015	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0035	0.2313	0.2313
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.2693	0.2693
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.002	0.0683	0.1393
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3329	0.3329
Leishmania major	DNA polymerase eta, putative	0.0041	0.2956	0.2827
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0013	0.00000000024598	0.00000000024598
Echinococcus granulosus	chromobox protein 1	0.008	0.7015	0.7015
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0013	0.00000000024598	0.00000000024598
Echinococcus granulosus	Chromo domain	0.0013	0.00000000024598	0.00000000024598
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.5101	0.5011
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0076	0.6622	0.6622
Schistosoma mansoni	kinase	0.0055	0.4407	0.4407
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0526	0.0526
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0529	0.0529
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Echinococcus multilocularis	ubiquitin	0.0037	0.2503	0.2503
Schistosoma mansoni	hypothetical protein	0.0018	0.0526	0.0526
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0027	0.1427	0.1427
Leishmania major	DNA polymerase eta, putative	0.0068	0.576	0.5682
Mycobacterium ulcerans	DNA polymerase IV	0.0069	0.5895	1
Giardia lamblia	Sentrin	0.006	0.4905	0.4811
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Mycobacterium ulcerans	polyketide synthase	0.0028	0.1624	0.1921
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0076	0.6622	0.6622
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.1956	0.1956
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0529	0.0529
Plasmodium falciparum	sentrin-specific protease 1	0.0015	0.018	0.0368
Mycobacterium leprae	Polyketide synthase Pks13	0.0043	0.3107	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0041	0.2956	0.2827
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0018	0.0529	0.1079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Loa Loa (eye worm)	Ulp1 protease	0.0076	0.6622	0.6622
Echinococcus granulosus	GPCR family 2	0.0018	0.0526	0.0526
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Entamoeba histolytica	hypothetical protein	0.0041	0.2959	0.2959
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0526	0.0526
Giardia lamblia	DINP protein human, muc B family	0.0046	0.3488	0.3368
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.4629	0.4629
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0013	0.00000000024598	0.0000000005015
Plasmodium vivax	small ubiquitin-related modifier, putative	0.006	0.4905	1
Loa Loa (eye worm)	CHromoDomain protein family member	0.0013	0.00000000024598	0.00000000024598
Onchocerca volvulus		0.0037	0.2503	0.2503
Brugia malayi	polk-prov protein	0.0042	0.3091	0.3091
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0023	0.1078	0.2367
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0526	0.0526
Echinococcus granulosus	dna polymerase eta	0.0068	0.576	0.576
Schistosoma mansoni	hypothetical protein	0.0018	0.0526	0.0526
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.2693	0.2693
Plasmodium vivax	sentrin-specific protease 1, putative	0.0015	0.018	0.0368
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.2693	0.2693
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0529	0.0355
Echinococcus multilocularis	Chromo domain	0.0013	0.00000000024598	0.00000000024598
Schistosoma mansoni	hypothetical protein	0.0018	0.0526	0.0526
Trypanosoma brucei	DNA polymerase IV, putative	0.0069	0.5895	0.5819
Giardia lamblia	Kinase, PLK	0.0108	1	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.003	0.1811	0.481
Toxoplasma gondii	type I fatty acid synthase, putative	0.002	0.0761	0.1551
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0108	1	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0108	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0041	0.2956	0.6027
Trichomonas vaginalis	ubiquitin, putative	0.0037	0.2503	0.2503
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Loa Loa (eye worm)	hypothetical protein	0.0015	0.018	0.018
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Toxoplasma gondii	type I fatty acid synthase, putative	0.003	0.1811	0.3691
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0108	1	1
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0013	0.00000000024598	0.00000000024598
Trypanosoma brucei	DNA polymerase IV, putative	0.0069	0.5895	0.5819
Trypanosoma brucei	unspecified product	0.0061	0.5101	0.5011
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0013	0.00000000024598	0.00000000024598
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.2226	0.2083
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.3488	0.3368
Brugia malayi	chromobox protein homolog 3	0.0045	0.3329	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0306	0.0306
Trichomonas vaginalis	chromobox protein, putative	0.008	0.7015	0.7015
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0023	0.1039	0.0813
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0018	0.0529	0.0355
Echinococcus multilocularis	sentrin specific protease 7	0.0015	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0057	0.4629	0.4629
Brugia malayi	Associated with TFs and helicases family protein	0.0013	0.00000000024598	0.00000000024598
Echinococcus granulosus	ubiquitin	0.0037	0.2503	0.2503
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0015	0.018	0.0368
Loa Loa (eye worm)	Ulp1 protease	0.0015	0.018	0.018
Mycobacterium leprae	Probable polyketide synthase Pks1	0.003	0.1811	0.481
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0015	0.018	0.0368
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0076	0.6622	0.6622
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0024	0.1125	0.2064
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0024	0.1125	0.2514
Leishmania major	small ubiquitin protein, putative	0.006	0.4905	0.4811
Entamoeba histolytica	hypothetical protein	0.0037	0.2503	0.2503
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0028	0.1624	0.1921
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0028	0.1624	0.4097
Brugia malayi	ImpB/MucB/SamB family protein	0.0068	0.576	0.576
Echinococcus multilocularis	sentrin specific protease 1	0.0015	0.018	0.018
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.003	0.1811	0.4687
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0013	0.00000000024598	0.00000000024598
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0529	0.0529
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0076	0.6622	0.6622
Schistosoma mansoni	hypothetical protein	0.0013	0.00000000024598	0.00000000024598
Onchocerca volvulus		0.005	0.3844	0.3844
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Schistosoma mansoni	SET domain protein	0.0037	0.2573	0.2573
Trichomonas vaginalis	sentrin/sumo-specific protease, senp8, putative	0.0015	0.018	0.018
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.002	0.078	0.1423
Loa Loa (eye worm)	SMO-1 protein	0.006	0.4905	0.4905
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0046	0.3488	1
Echinococcus multilocularis	histone lysine N methyltransferase NSD3	0.0037	0.2573	0.2573
Trypanosoma brucei	DNA polymerase eta, putative	0.0068	0.576	0.5682
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0069	0.5895	0.5895
Chlamydia trachomatis	deubiquitinase/deneddylase Dub2	0.0015	0.018	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.3686	0.3686
Echinococcus multilocularis	Small ubiquitin modifier 2	0.006	0.4905	0.4905
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0015	0.018	0.018
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.4629	0.4629
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0526	0.0526
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0018	0.0529	0.0628
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Trypanosoma cruzi	hypothetical protein	0.0076	0.6622	0.656
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.2959	0.2959
Loa Loa (eye worm)	hypothetical protein	0.0015	0.018	0.018
Loa Loa (eye worm)	heterochromatin protein 1	0.008	0.7015	0.7015
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.1811	0.2273
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3091	0.3091
Mycobacterium ulcerans	DNA polymerase IV	0.0069	0.5895	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.018	0.018
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0529	0.0355
Echinococcus granulosus	dna polymerase kappa	0.0069	0.5895	0.5895
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.2226	0.2083
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Trypanosoma cruzi	small ubiquitin protein, putative	0.006	0.4905	0.4811
Trypanosoma brucei	polo-like protein kinase	0.0108	1	1
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.006	0.4905	0.4905
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0027	0.1427	0.3473
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0018	0.0529	0.1079
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Echinococcus multilocularis	chromobox protein 1	0.008	0.7015	0.7015
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Echinococcus granulosus	sentrin specific protease 7	0.0015	0.018	0.018
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.003	0.1811	0.481
Echinococcus granulosus	histone lysine N methyltransferase NSD3	0.0037	0.2573	0.2573
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0069	0.5895	0.5819
Schistosoma mansoni	hypothetical protein	0.0018	0.0526	0.0526
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.2693	0.2693
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0048	0.3686	0.3686
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0028	0.1624	0.1921
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.2503	0.2503
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0014	0.0142	0.0289
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0054	0.4308	0.4308
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.003	0.1811	0.2273
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0529	0.0529
Schistosoma mansoni	chromobox protein	0.008	0.7015	0.7015
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0023	0.1039	0.172
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0013	0.00000000024598	0.00000000024598
Echinococcus multilocularis	sentrin specific protease 8	0.0076	0.6622	0.6622
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.273	0.273
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.3329	0.3329
Entamoeba histolytica	hypothetical protein	0.0041	0.2959	0.2959
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0529	0.0355
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0015	0.018	0.0368
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.00000000024598	0.0000000005015
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.2693	0.2693
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.2693	0.2693
Entamoeba histolytica	hypothetical protein	0.0013	0.00000000024598	0.00000000024598
Trypanosoma brucei	unspecified product	0.0027	0.1431	0.1274
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0013	0.00000000024598	0.00000000024598
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.3329	0.3329
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Trichomonas vaginalis	chromobox protein, putative	0.008	0.7015	0.7015
Trichomonas vaginalis	CAMK family protein kinase	0.0108	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.3091	0.2964
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Toxoplasma gondii	isocitrate dehydrogenase	0.0018	0.0529	0.1079
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0015	0.018	0.018
Onchocerca volvulus		0.0027	0.1427	0.1427
Plasmodium vivax	sentrin-specific protease 2, putative	0.0015	0.018	0.0368
Echinococcus granulosus	chromobox protein 1	0.008	0.7015	0.7015
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0028	0.1624	0.1624
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0015	0.018	0.018
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0526	0.0526
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0028	0.1624	0.4065
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0076	0.6622	0.6622
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.3091	0.2964
Brugia malayi	CHD4 protein	0.0013	0.00000000024598	0.00000000024598
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0028	0.1532	0.3806
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0043	0.3107	0.8793
Trypanosoma brucei	small ubiquitin-related modifier	0.006	0.4905	0.4811
Schistosoma mansoni	DNA polymerase eta	0.0068	0.576	0.576
Loa Loa (eye worm)	acyl carrier protein	0.0013	0.0005	0.0005
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.2693	0.7484
Onchocerca volvulus		0.0014	0.0132	0.0132
Brugia malayi	Ubiquitin-like protein SMT3	0.006	0.4905	0.4905
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0015	0.018	0.018
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.3329	0.3329
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0529	0.0529
Entamoeba histolytica	hypothetical protein	0.0041	0.2959	0.2959
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0076	0.6622	0.6622
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0076	0.6622	0.6622
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.2959	0.2959
Entamoeba histolytica	hypothetical protein	0.0041	0.2959	0.2959
Echinococcus granulosus	sentrin specific protease 8	0.0076	0.6622	0.6622
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Toxoplasma gondii	small ubiquitin family modifier, putative	0.006	0.4905	1
Echinococcus granulosus	Small ubiquitin modifier 2	0.006	0.4905	0.4905
Echinococcus multilocularis	dna polymerase eta	0.0068	0.576	0.576
Echinococcus granulosus	sentrin specific protease 1	0.0015	0.018	0.018
Schistosoma mansoni	hypothetical protein	0.0041	0.2959	0.2959
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0014	0.0132	0.0132
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0028	0.1624	0.1921
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0028	0.1624	0.4065
Mycobacterium ulcerans	polyketide synthase	0.003	0.1811	0.2273
Trypanosoma brucei	unspecified product	0.0027	0.1431	0.1274
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0108	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.2693	0.2693
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0028	0.1624	0.1921
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0028	0.1532	0.3806
Trypanosoma cruzi	DNA polymerase eta, putative	0.0068	0.576	0.5682
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0028	0.1624	0.4097
Onchocerca volvulus	Fatty acid synthase homolog	0.0051	0.403	0.403
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0108	1	1
Brugia malayi	Heterochromatin protein 1	0.008	0.7015	0.7015
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0023	0.1039	0.0813
Entamoeba histolytica	ubiquitin like protein	0.006	0.4905	0.4905
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.003	0.1811	0.4687
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.1956	0.1956
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0529	0.0529
Echinococcus multilocularis	chromobox protein 1	0.008	0.7015	0.7015
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0526	0.0526
Echinococcus multilocularis	dna polymerase kappa	0.0069	0.5895	0.5895
Mycobacterium ulcerans	thioesterase	0.0024	0.1125	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0039	0.273	0.273
Trypanosoma cruzi	polo-like protein kinase, putative	0.0108	1	1
Trypanosoma cruzi	small ubiquitin protein, putative	0.006	0.4905	0.4811
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0526	0.0526
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.1427	0.1427
Schistosoma mansoni	serine/threonine protein kinase	0.0108	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.00000000024598	0.00000000024598
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0043	0.3107	0.8793
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.4257	0.4257
Loa Loa (eye worm)	hypothetical protein	0.0048	0.3662	0.3662
Chlamydia trachomatis	deubiquitinase/deneddylase Dub1	0.0015	0.018	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2503	0.2503
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.003	0.1811	0.4687

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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)	35.4813 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1474251

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1361069