TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 515.622 | Formula: C26H33N3O6S
H donors: 1 H acceptors: 4 LogP: 2.24 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CCC(c1ccccc1N1CC(CC1=O)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1)C
InChi: 1S/C26H33N3O6S/c1-4-18(2)21-7-5-6-8-23(21)29-17-19(15-25(29)30)26(31)27-22-16-20(9-10-24(22)34-3)36(32,33)28-11-13-35-14-12-28/h5-10,16,18-19H,4,11-15,17H2,1-3H3,(H,27,31)
InChiKey: DQJRTHFUHHFSFG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	mercuric reductase, putative	0.0053	0.0182	0.0517
Toxoplasma gondii	melibiase subfamily protein	0.01	0.0521	0.5645
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.0084	0.0538
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0064	0.026	0.0223
Leishmania major	hypothetical protein, conserved	0.0042	0.0104	0.1163
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0053	0.0182	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0079	0.0365	0.0329
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0064	0.026	0.0454
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0069	0.0122
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0178	0.9708
Leishmania major	pyruvate kinase	0.0033	0.0038	0.0423
Schistosoma mansoni	hypothetical protein	0.0038	0.0073	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0069	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Brugia malayi	jmjC domain containing protein	0.0064	0.026	0.0637
Mycobacterium tuberculosis	Probable reductase	0.0348	0.2289	0.8904
Mycobacterium tuberculosis	Probable dehydrogenase	0.0348	0.2289	0.8904
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0387	0.2566	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0053	0.0182	0.5
Onchocerca volvulus		0.0042	0.0104	0.0299
Schistosoma mansoni	hypothetical protein	0.0205	0.1264	0.1231
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.0504	0.0952
Schistosoma mansoni	gabp alpha	0.0079	0.0365	0.0329
Echinococcus multilocularis	snurportin 1	0.036	0.237	0.2341
Entamoeba histolytica	hypothetical protein	0.0038	0.0073	0.2455
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0296	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0132
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0039	0.0082	0.0127
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0053	0.0182	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0053	0.0182	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.026	0.0637
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0178	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0132
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0521	0.0485
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.0178	0.9708
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0053	0.0182	0.0295
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0053	0.0182	0.1689
Trypanosoma brucei	trypanothione reductase	0.0153	0.0894	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0521	0.0485
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.0084	0.0538
Echinococcus multilocularis	lysine specific demethylase 5A	0.0064	0.026	0.0223
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.0178	0.0555
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.0296	0.3312
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.0504	0.0468
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0053	0.0182	0.2041
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0154	0.0331
Echinococcus granulosus	thioredoxin glutathione reductase	0.0153	0.0894	0.1747
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0045	0.0089
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0348	0.2289	0.8904
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0104	0.0773
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0053	0.0182	0.1689
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.0504	0.1336
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0104	0.0262
Plasmodium falciparum	thioredoxin reductase	0.0153	0.0894	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0104	0.1163
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0104	0.4573
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0296	0.3312
Schistosoma mansoni	hypothetical protein	0.036	0.237	0.2341
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0348	0.2289	0.8904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.0504	0.0468
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0104	0.0262
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.0296	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.0178	0.6019
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0104	0.0262
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0053	0.0182	0.1689
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0522	0.353	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0104	0.1163
Brugia malayi	RNA, U transporter 1	0.0096	0.0488	0.129
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.0296	0.0259
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0053	0.0182	0.1689
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0064	0.026	0.0223
Toxoplasma gondii	thioredoxin reductase	0.0153	0.0894	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.01	0.0521	0.0986
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0038	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0283	0.0701
Toxoplasma gondii	NADPH-glutathione reductase	0.0053	0.0182	0.1689
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0132
Brugia malayi	beta-lactamase	0.0042	0.0104	0.0189
Brugia malayi	Ets-domain containing protein	0.0079	0.0365	0.0938
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0038	0.0107
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0348	0.2289	0.8904
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0296	0.3312
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0089	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0132
Brugia malayi	beta-lactamase family protein	0.0042	0.0104	0.0189
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.0178	0.9708
Brugia malayi	jmjC domain containing protein	0.0064	0.026	0.0637
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0104	0.4573
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0053	0.0182	0.1689
Treponema pallidum	NADH oxidase	0.0053	0.0182	0.5
Schistosoma mansoni	ets-related	0.0239	0.1506	0.1474
Trichomonas vaginalis	glucosylceramidase, putative	0.0361	0.2381	0.6744
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0182	0.2041
Brugia malayi	beta-lactamase family protein	0.0042	0.0104	0.0189
Schistosoma mansoni	hypothetical protein	0.0033	0.0043	0.0006
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0053	0.0182	0.1689
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0104	0.4573
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0104	0.0294
Onchocerca volvulus		0.0042	0.0104	0.0299
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0178	0.0402
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0053	0.0182	0.0414
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0053	0.0182	0.2041
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0104	0.0262
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0053	0.0182	0.0572
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0178	0.0402
Trypanosoma cruzi	trypanothione reductase, putative	0.0153	0.0894	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0045	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Echinococcus multilocularis	geminin	0.0205	0.1264	0.1231
Echinococcus granulosus	microtubule associated protein 2	0.072	0.4937	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0283	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Loa Loa (eye worm)	glutathione reductase	0.0153	0.0894	0.2451
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0038	0.0423
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0104	0.0262
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.0296	0.0527
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0178	0.0555
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.036	0.237	0.6679
Leishmania major	trypanothione reductase	0.0153	0.0894	1
Schistosoma mansoni	notum	0.143	1	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0053	0.0182	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Brugia malayi	Fli-1 protein	0.0239	0.1506	0.4204
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0104	0.0773
Echinococcus granulosus	GA binding protein alpha chain	0.0079	0.0365	0.0669
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0045	0.0089
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0104	0.0262
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0104	0.0262
Brugia malayi	glutathione reductase	0.0153	0.0894	0.2451
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0045	0.0089
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0104	0.0294
Toxoplasma gondii	ABC1 family protein	0.0042	0.0104	0.0773
Plasmodium vivax	glutathione reductase, putative	0.0153	0.0894	1
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0104	0.0262
Schistosoma mansoni	importin beta-1	0.0034	0.0045	0.0008
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0053	0.0182	0.1689
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0053	0.0182	0.1689
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0153	0.0894	0.0859
Echinococcus granulosus	lysine specific demethylase 5A	0.0064	0.026	0.0454
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0073	0.0071
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0522	0.353	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0104	0.0189
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0069	0.0122
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0104	0.0066
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0045	0.0008
Echinococcus granulosus	snurportin 1	0.036	0.237	0.4762
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0089	0.0105
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.0296	0.0739
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0154	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0154	0.0331
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0104	0.0135
Schistosoma mansoni	hypothetical protein	0.0205	0.1264	0.1231
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0178	0.0402
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0045	0.0016
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.0084	0.0182
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0178	0.9708
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.0296	0.0259
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0178	0.0555
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0064	0.026	0.0223
Trichomonas vaginalis	glutathione reductase, putative	0.0053	0.0182	0.0517
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0069	0.0122
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0038	0.0423
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0053	0.0182	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.0104	0.4573
Mycobacterium tuberculosis	Probable oxidoreductase	0.0387	0.2566	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0073	0.0035
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.0084	0.3187
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0178	0.9708
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0178	0.0402
Plasmodium falciparum	glutathione reductase	0.0053	0.0182	0.1689
Loa Loa (eye worm)	fli-1 protein	0.0239	0.1506	0.4204
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0387	0.2566	1
Trichomonas vaginalis	esterase, putative	0.0042	0.0104	0.0294
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0104	0.0066
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0104	0.0294
Entamoeba histolytica	hypothetical protein	0.0038	0.0073	0.2455
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0521	0.0485
Entamoeba histolytica	hypothetical protein	0.0038	0.0073	0.2455
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0178	0.9708
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.0504	0.0468
Brugia malayi	Importin beta-1 subunit	0.0034	0.0045	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0284	0.0705
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0053	0.0182	0.2041
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0178	0.9708
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0073	0.0035
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0178	0.6019
Schistosoma mansoni	jumonji domain containing protein	0.0064	0.026	0.0223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.0504	0.0468
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0178	0.6019
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0178	0.1994
Plasmodium falciparum	glutathione reductase	0.0153	0.0894	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0104	0.0262
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0053	0.0182	0.0145
Entamoeba histolytica	hypothetical protein	0.0038	0.0073	0.2455
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0104	0.0262
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0521	0.0485
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.01	0.0521	0.0485
Schistosoma mansoni	microtubule-associated protein tau	0.072	0.4937	0.4917
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0104	0.0294
Leishmania major	pyruvate kinase	0.0033	0.0038	0.0423
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0053	0.0182	0.1689
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0178	0.0402
Echinococcus granulosus	geminin	0.0205	0.1264	0.2503
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0104	0.4573
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0104	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0178	0.0402
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.0504	0.0952
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0348	0.2289	0.8904
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0045	0.0022
Brugia malayi	Melibiase family protein	0.0067	0.0283	0.0701
Plasmodium falciparum	importin beta, putative	0.0034	0.0045	0.0089
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0104	0.0262
Brugia malayi	hypothetical protein	0.0038	0.0073	0.01
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0043	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0084	0.0132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.0504	0.0468
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0283	0.0246
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0387	0.2566	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.0504	0.1336
Onchocerca volvulus		0.0042	0.0104	0.0299
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0153	0.0894	0.3386
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0178	0.1994
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0104	0.0294
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.1714	0.6631
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0053	0.0182	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0043	0.0016
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0104	0.0189
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0053	0.0182	0.2041
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0154	0.0331
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0846	0.5835	0.5819
Trichomonas vaginalis	glucosylceramidase, putative	0.0343	0.2249	0.6372
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0067	0.0283	0.08
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0039	0.0082	0.0127
Brugia malayi	Thioredoxin reductase	0.0153	0.0894	0.2451
Onchocerca volvulus		0.0052	0.0178	0.0635
Echinococcus multilocularis	microtubule associated protein 2	0.072	0.4937	0.4917
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0178	0.9708
Plasmodium vivax	thioredoxin reductase, putative	0.0153	0.0894	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0053	0.0182	0.2041
Trichomonas vaginalis	glucosylceramidase, putative	0.0522	0.353	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.0084	0.3187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0104	0.0066
Onchocerca volvulus	Glucosylceramidase homolog	0.0343	0.2249	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0053	0.0182	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0104	0.0189
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.0296	0.0739
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0182	0.1689
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0178	0.0555
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0348	0.2289	0.8904
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0104	0.0189
Trichomonas vaginalis	glucosylceramidase, putative	0.0361	0.2381	0.6744
Loa Loa (eye worm)	thioredoxin reductase	0.0153	0.0894	0.2451
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0079	0.0365	0.0938
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.01	0.0521	0.0485
Brugia malayi	Ets-domain containing protein	0.0079	0.0365	0.0938

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1868905

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 1116994