TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.073 | Formula: C28H30ClN3O4S
H donors: 0 H acceptors: 3 LogP: 6.21 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc2sc(nc2cc1OC)N(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CCCN(C)C.Cl
InChi: 1S/C28H29N3O4S.ClH/c1-30(2)15-8-16-31(28-29-22-17-23(34-3)24(35-4)18-25(22)36-28)27(33)21-13-11-20(12-14-21)26(32)19-9-6-5-7-10-19;/h5-7,9-14,17-18H,8,15-16H2,1-4H3;1H
InChiKey: LRWKQKUTPQRXPA-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	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	RAD52 homolog (S. cerevisiae)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Candida albicans	similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor	Get druggable targets OG5_130806	All targets in OG5_130806
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	Get druggable targets OG5_130806	All targets in OG5_130806
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Giardia lamblia	DNA repair protein RAD52	Get druggable targets OG5_130806	All targets in OG5_130806
Candida albicans	similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor	Get druggable targets OG5_130806	All targets in OG5_130806
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.039	0.4607
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0063	0.0096
Echinococcus granulosus	tar DNA binding protein	0.0464	0.2763	0.4649
Brugia malayi	Smad1	0.0109	0.048	0.0436
Onchocerca volvulus		0.0043	0.0063	0.0049
Brugia malayi	MH1 domain containing protein	0.006	0.0169	0.0123
Schistosoma mansoni	hypothetical protein	0.0502	0.3006	0.4418
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0502	0.3006	0.5065
Loa Loa (eye worm)	TAR-binding protein	0.0464	0.2763	0.273
Brugia malayi	hypothetical protein	0.0308	0.1761	0.1723
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.1167	0.6449
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0063	0.0017
Trypanosoma cruzi	DNA polymerase eta, putative	0.0048	0.0091	0.1082
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Brugia malayi	latrophilin 2 splice variant baaae	0.1085	0.6745	0.673
Brugia malayi	N-terminal motif family protein	0.0564	0.3404	0.3373
Echinococcus granulosus	Smad4	0.0109	0.048	0.0742
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0166	0.0846	0.521
Brugia malayi	MH1 domain containing protein	0.0109	0.048	0.0436
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0952	0.589	0.9709
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0063	0.0028
Trypanosoma cruzi	PAB1-binding protein , putative	0.0106	0.0466	0.5505
Entamoeba histolytica	hypothetical protein	0.007	0.0232	0.0767
Loa Loa (eye worm)	MH2 domain-containing protein	0.1593	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0063	0.0025
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0063	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0063	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0464	0.2763	0.273
Toxoplasma gondii	isocitrate dehydrogenase	0.0166	0.0846	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.039	0.0345
Entamoeba histolytica	hypothetical protein	0.007	0.0232	0.0767
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0564	0.3404	1
Loa Loa (eye worm)	hypothetical protein	0.1085	0.6745	0.673
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0063	0.074
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0952	0.589	1
Brugia malayi	MH1 domain containing protein	0.006	0.0169	0.0123
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0166	0.0846	0.1328
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Brugia malayi	RNA binding protein	0.0464	0.2763	0.273
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.039	0.0571
Schistosoma mansoni	glutaminase	0.0273	0.1537	0.2226
Schistosoma mansoni	DNA polymerase eta	0.0048	0.0091	0.0068
Brugia malayi	beta-lactamase family protein	0.0043	0.0063	0.0017
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Schistosoma mansoni	Smad4	0.0048	0.0095	0.0073
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0166	0.0846	0.1368
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0952	0.589	0.5871
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Echinococcus multilocularis	smad	0.0109	0.048	0.0721
Brugia malayi	hypothetical protein	0.0069	0.0224	0.0179
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1566	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0166	0.0846	1
Schistosoma mansoni	Smad4	0.0048	0.0095	0.0073
Echinococcus granulosus	dna polymerase eta	0.0048	0.0091	0.0078
Schistosoma mansoni	smad1 5 8 and	0.0109	0.048	0.0648
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0063	0.0096
Schistosoma mansoni	hypothetical protein	0.0164	0.0839	0.1183
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Trypanosoma brucei	polo-like protein kinase	0.0094	0.039	0.4176
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Echinococcus multilocularis	geminin	0.0164	0.0839	0.1317
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0063	0.074
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.039	0.0588
Brugia malayi	isocitrate dehydrogenase	0.0166	0.0846	0.0803
Schistosoma mansoni	hypothetical protein	0.0164	0.0839	0.1183
Trichomonas vaginalis	esterase, putative	0.0043	0.0063	0.0096
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0048	0.0095	0.0081
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.2763	0.4056
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0109	0.048	0.0648
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.039	0.1023
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0166	0.0846	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0502	0.3006	0.4917
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.6065	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0063	0.0096
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0464	0.2763	0.273
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1587	0.9967	0.9967
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0166	0.0846	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0166	0.0846	0.1328
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0166	0.0846	0.1194
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.2763	0.4056
Mycobacterium ulcerans	glutaminase	0.0273	0.1537	1
Brugia malayi	beta-lactamase	0.0043	0.0063	0.0017
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0166	0.0846	1
Echinococcus multilocularis	tar DNA binding protein	0.0464	0.2763	0.4514
Brugia malayi	glutaminase DH11.1	0.0273	0.1537	0.1498
Brugia malayi	mothers against decapentaplegic homolog 3	0.0048	0.0095	0.0049
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Schistosoma mansoni	smad	0.0048	0.0095	0.0073
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0166	0.0846	1
Schistosoma mansoni	hypothetical protein	0.1085	0.6745	1
Brugia malayi	hypothetical protein	0.007	0.0232	0.0187
Brugia malayi	MH1 domain containing protein	0.0109	0.048	0.0436
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Schistosoma mansoni	hypothetical protein	0.0502	0.3006	0.4418
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0063	0.0028
Giardia lamblia	DNA repair protein RAD52	0.042	0.2477	1
Echinococcus multilocularis	Smad4	0.0109	0.048	0.0721
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.1784	0.1746
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0166	0.0846	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1761	0.1723
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0166	0.0846	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0502	0.3006	0.5065
Plasmodium vivax	ataxin-2 like protein, putative	0.0106	0.0466	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0466	0.0421
Echinococcus granulosus	mothers against decapentaplegic 5	0.0109	0.048	0.0742
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.039	0.0513
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1587	0.9967	0.9967
Echinococcus multilocularis	GPCR, family 2	0.0502	0.3006	0.4917
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0952	0.589	0.5871
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0109	0.048	0.0721
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0063	0.0017
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0952	0.589	0.9709
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.2763	0.4056
Loa Loa (eye worm)	hypothetical protein	0.0502	0.3006	0.2973
Entamoeba histolytica	hypothetical protein	0.007	0.0232	0.0767
Brugia malayi	MH2 domain containing protein	0.0109	0.048	0.0436
Brugia malayi	beta-lactamase family protein	0.0043	0.0063	0.0017
Onchocerca volvulus		0.0043	0.0063	0.0049
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0166	0.0846	0.0803
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0063	0.0096
Echinococcus multilocularis	isocitrate dehydrogenase	0.0166	0.0846	0.1328
Entamoeba histolytica	hypothetical protein	0.0119	0.055	0.2073
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1784	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.0232	0.031
Loa Loa (eye worm)	glutaminase	0.0273	0.1537	0.1498
Trypanosoma brucei	DNA polymerase eta, putative	0.0048	0.0091	0.0369
Echinococcus multilocularis	dna polymerase eta	0.0048	0.0091	0.0076
Loa Loa (eye worm)	glutaminase 2	0.0273	0.1537	0.1498
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0091	0.0046
Brugia malayi	hypothetical protein	0.0106	0.0466	0.0421
Loa Loa (eye worm)	hypothetical protein	0.1587	0.9967	0.9967
Brugia malayi	ImpB/MucB/SamB family protein	0.0048	0.0091	0.0046
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.2763	0.4056
Loa Loa (eye worm)	nuclear factor I	0.006	0.0169	0.0123
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0048	0.009	0.0074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0952	0.589	0.8724
Echinococcus granulosus	mothers against decapentaplegic 2	0.0048	0.0095	0.0084
Brugia malayi	MH2 domain containing protein	0.0048	0.0095	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0952	0.589	0.8724
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.039	0.1414
Loa Loa (eye worm)	MH1 domain-containing protein	0.0048	0.0095	0.0049
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1587	0.9967	0.9967
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0166	0.0846	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0063	0.0096
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.039	0.4607
Schistosoma mansoni	hypothetical protein	0.0048	0.009	0.0065
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.042	0.2477	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.1784	0.1746
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0063	0.0017
Entamoeba histolytica	hypothetical protein	0.007	0.0232	0.0767
Schistosoma mansoni	hypothetical protein	0.0502	0.3006	0.4418
Onchocerca volvulus		0.0043	0.0063	0.0049
Toxoplasma gondii	ABC1 family protein	0.0043	0.0063	0.074
Brugia malayi	Latrophilin receptor protein 2	0.0502	0.3006	0.2973
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.0232	0.0319
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0119	0.055	0.2073
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.1096	0.3128
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0084	0.0217
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0502	0.3006	0.2973
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0952	0.589	1
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.0232	0.0278
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0048	0.009	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0095	0.0049
Echinococcus granulosus	GPCR family 2	0.0502	0.3006	0.5065
Brugia malayi	Isocitrate dehydrogenase	0.0166	0.0846	0.0803
Toxoplasma gondii	isocitrate dehydrogenase	0.0166	0.0846	1
Schistosoma mansoni	smad	0.0109	0.048	0.0648
Loa Loa (eye worm)	hypothetical protein	0.006	0.0169	0.0123
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0063	0.0025
Schistosoma mansoni	Smad4	0.0109	0.048	0.0648
Schistosoma mansoni	smad1 5 8 and	0.0109	0.048	0.0648
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0502	0.3006	0.2973
Trypanosoma cruzi	PAB1-binding protein , putative	0.0106	0.0466	0.5505
Schistosoma mansoni	hypothetical protein	0.007	0.0232	0.0278
Loa Loa (eye worm)	RNA binding protein	0.0464	0.2763	0.273
Echinococcus granulosus	mothers against decapentaplegic 6	0.0048	0.0095	0.0084
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0084	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0564	0.3404	0.3373
Leishmania major	hypothetical protein, conserved	0.0043	0.0063	0.074
Loa Loa (eye worm)	Smad1	0.0109	0.048	0.0436
Echinococcus granulosus	smad	0.0109	0.048	0.0742
Loa Loa (eye worm)	transcription factor SMAD2	0.1593	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0952	0.589	0.8724
Brugia malayi	TAR-binding protein	0.0464	0.2763	0.273
Loa Loa (eye worm)	MH1 domain-containing protein	0.0109	0.048	0.0436
Schistosoma mansoni	tar DNA-binding protein	0.0464	0.2763	0.4056
Loa Loa (eye worm)	MH2 domain-containing protein	0.0048	0.0095	0.0049
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0109	0.048	0.0742
Toxoplasma gondii	LsmAD domain-containing protein	0.0106	0.0466	0.5505
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.039	0.4607
Schistosoma mansoni	smad1 5 8 and	0.0109	0.048	0.0648
Brugia malayi	MH2 domain containing protein	0.0109	0.048	0.0436
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0502	0.3006	0.4917
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0048	0.0095	0.0081
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.1167	0.6449
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0166	0.0846	0.1328
Echinococcus granulosus	geminin	0.0164	0.0839	0.1356
Leishmania major	DNA polymerase eta, putative	0.0048	0.0091	0.1082
Schistosoma mansoni	hypothetical protein	0.0502	0.3006	0.4418
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0048	0.0095	0.0145
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.039	0.1977
Trypanosoma brucei	PAB1-binding protein , putative	0.0106	0.0466	0.5146
Leishmania major	hypothetical protein, conserved	0.0106	0.0466	0.5505
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Trichomonas vaginalis	glutaminase, putative	0.0273	0.1537	0.8579
Onchocerca volvulus		0.0308	0.1761	0.5109
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1096	0.6042
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0109	0.048	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0063	0.0017
Loa Loa (eye worm)	MH2 domain-containing protein	0.0109	0.048	0.0436
Schistosoma mansoni	kinase	0.0048	0.0092	0.0068
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.039	0.0345

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 15.84 uM	PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	4.609 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)	9.285 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	16.5113 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)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory)	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: CHEMBL1435332

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1318593