TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 466.548 | Formula: C22H30N2O7S
H donors: 0 H acceptors: 4 LogP: 1.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCCN(C1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChi: 1S/C22H30N2O7S/c1-16-3-2-8-23(14-16)21(25)15-31-22(26)17-6-9-24(10-7-17)32(27,28)18-4-5-19-20(13-18)30-12-11-29-19/h4-5,13,16-17H,2-3,6-12,14-15H2,1H3
InChiKey: MIVOBVFBMLZMQC-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
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1849	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0612	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0085	0.0042
Schistosoma mansoni	hypothetical protein	0.0041	0.0203	0.0203
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.023	0.023
Trypanosoma brucei	trypanothione reductase	0.0052	0.0281	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0085	0.2305
Plasmodium falciparum	thioredoxin reductase	0.0018	0.0046	0.0092
Entamoeba histolytica	hypothetical protein	0.0115	0.0717	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0021	0.0067	0.0067
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0905	0.0905
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0085	0.0265
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0905	0.0905
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.0281	0.0238
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0085	0.0286
Loa Loa (eye worm)	voltage-gated potassium channel	0.0144	0.092	0.088
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0213	0.0213
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0085	0.2305
Brugia malayi	beta-lactamase	0.0043	0.0223	0.0211
Onchocerca volvulus		0.0043	0.0223	1
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0905	0.0905
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0085	0.0072
Brugia malayi	MBOAT family protein	0.0021	0.0067	0.0054
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0085	0.0265
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0905	0.0905
Entamoeba histolytica	hypothetical protein	0.0115	0.0717	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.0214	0.1406	0.1406
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0067	0.1161
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0067	0.1161
Trypanosoma brucei	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0021	0.0067	0.0877
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.023	0.023
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0085	0.167
Loa Loa (eye worm)	MBOAT family protein	0.0021	0.0067	0.0023
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0021	0.0067	0.0877
Brugia malayi	CHE-14 protein	0.0042	0.0213	0.02
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.0281	0.0281
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0115	0.0717	0.0717
Mycobacterium ulcerans	lipase LipD	0.0043	0.0223	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0021	0.0067	0.0961
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0067	0.0067
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0018	0.0046	0.0122
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0213	0.0213
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0067	0.0067
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0223	0.1027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.023	0.023
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0905	0.0905
Brugia malayi	Thioredoxin reductase	0.0052	0.0281	0.0268
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0067	0.0067
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0223	0.1027
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0067	0.0067
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0223	1
Echinococcus granulosus	expressed conserved protein	0.0092	0.056	0.056
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0146	0.0937	0.0926
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0085	0.2305
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.0787	0.0746
Trypanosoma cruzi	GUP1, putative	0.0021	0.0067	0.0877
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0085	0.2305
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.0787	0.0787
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0097	0.2155
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.0741	0.3883
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0378	0.0336
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0223	0.0223
Loa Loa (eye worm)	MBOAT family protein	0.0021	0.0067	0.0023
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0021	0.0067	0.0067
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0146	0.0937	0.0937
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0223	0.7555
Brugia malayi	RNA binding protein	0.0125	0.0787	0.0775
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0044	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018
Echinococcus granulosus	tar DNA binding protein	0.0125	0.0787	0.0787
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0085	0.0286
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0018	0.0046	0.0046
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0066	0.0378	0.0336
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.0741	0.3883
Brugia malayi	Hhat protein	0.0021	0.0067	0.0054
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0806	0.5518	0.5518
Echinococcus multilocularis	protein patched	0.0042	0.0213	0.0213
Trichomonas vaginalis	esterase, putative	0.0043	0.0223	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0223	0.0223
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.0601	0.0601
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0213	0.0213
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0097	0.2228
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0046	0.5
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0118	0.0741	0.8776
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0905	0.0905
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0021	0.0067	0.0067
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0213	0.017
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0223	0.1027
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0021	0.0067	0.0067
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0085	0.167
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0223	0.7577
Brugia malayi	diacylglycerol acyltransferase	0.0021	0.0067	0.0054
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.1452	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0018	0.0046	0.0122
Schistosoma mansoni	hypothetical protein	0.071	0.4849	0.4849
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0021	0.0067	0.0067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0223	1
Mycobacterium tuberculosis	Probable reductase	0.0118	0.0741	0.3883
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0223	0.018
Echinococcus granulosus	muscleblind protein	0.015	0.0962	0.0962
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0223	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0787	0.0787
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.0893	0.0893
Leishmania major	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Trypanosoma cruzi	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Schistosoma mansoni	serine/threonine protein kinase	0.1452	1	1
Treponema pallidum	alginate O-acetylation protein (algI)	0.0021	0.0067	1
Loa Loa (eye worm)	hhat protein	0.0021	0.0067	0.0023
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0223	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0018	0.0046	1
Brugia malayi	TAR-binding protein	0.0125	0.0787	0.0775
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0787	0.0787
Trypanosoma brucei	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0223	1
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0021	0.0067	0.0067
Brugia malayi	beta-lactamase family protein	0.0043	0.0223	0.0211
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0146	0.0937	0.0937
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0223	0.1027
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0115	0.0717	0.0717
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0223	0.018
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0021	0.0067	0.0067
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0223	0.7555
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0085	0.0072
Loa Loa (eye worm)	hhat protein	0.0021	0.0067	0.0023
Brugia malayi	hypothetical protein	0.0025	0.0097	0.0084
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0146	0.0937	0.0937
Brugia malayi	glutathione reductase	0.0052	0.0281	0.0268
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0097	0.2155
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0066	0.0378	0.0378
Loa Loa (eye worm)	hypothetical protein	0.015	0.0962	0.0922
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0021	0.0067	0.0023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0223	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0085	0.0042
Leishmania major	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0018	0.0046	0.0046
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0018	0.0046	0.0092
Schistosoma mansoni	sterol O-acyltransferase 1	0.0214	0.1406	0.1406
Onchocerca volvulus		0.0043	0.0223	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0223	0.0223
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0223	1
Brugia malayi	MBOAT family protein	0.0021	0.0067	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0097	0.0053
Schistosoma mansoni	hypothetical protein	0.071	0.4849	0.4849
Trypanosoma cruzi	GUP1, putative	0.0021	0.0067	0.0877
Loa Loa (eye worm)	glutathione reductase	0.0052	0.0281	0.0238
Brugia malayi	MBOAT family protein	0.0021	0.0067	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0067	0.0023
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0085	0.2305
Echinococcus multilocularis	muscleblind protein 1	0.015	0.0962	0.0962
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0021	0.0067	0.0067
Onchocerca volvulus		0.0024	0.0085	0.1187
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0905	0.0905
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.0787	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018
Plasmodium falciparum	glutathione reductase	0.0052	0.0281	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1406	0.1369
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0223	0.1027
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.0787	0.0775
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0905	0.0905
Schistosoma mansoni	patched 1	0.0042	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.015	0.0962	0.0922
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0021	0.0067	0.0067
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0021	0.0067	0.0067
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.0601	0.8215
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0097	0.2155
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.0281	0.1344
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0046	0.5
Toxoplasma gondii	ABC1 family protein	0.0043	0.0223	0.7555
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.1452	1	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0018	0.0046	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018
Brugia malayi	MBOAT family protein	0.0021	0.0067	0.0054
Leishmania major	hypothetical protein, conserved	0.0043	0.0223	0.7555
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.0741	0.3883
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0787	0.0787
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0097	0.2155
Schistosoma mansoni	hypothetical protein	0.0041	0.0203	0.0203
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0021	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018
Echinococcus granulosus	sterol O acyltransferase 1	0.0214	0.1406	0.1406
Schistosoma mansoni	hypothetical protein	0.0115	0.0717	0.0717
Schistosoma mansoni	hypothetical protein	0.0021	0.0067	0.0067
Plasmodium falciparum	thioredoxin reductase	0.0052	0.0281	1
Leishmania major	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Brugia malayi	beta-lactamase family protein	0.0043	0.0223	0.0211
Plasmodium falciparum	glutathione reductase	0.0018	0.0046	0.0092
Leishmania major	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.023	0.023
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0085	0.167
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0067	0.0067
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0018	0.0046	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0279	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0213	0.017
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0018	0.0046	0.0122
Echinococcus multilocularis	geminin	0.071	0.4849	0.4849
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0085	0.2305
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0066	0.0378	0.0378
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0085	0.0286
Schistosoma mansoni	transcription factor LCR-F1	0.0115	0.0717	0.0717
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0085	0.2305
Schistosoma mansoni	hypothetical protein	0.0041	0.0203	0.0203
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0223	0.1027
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0223	0.1027
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0223	0.1027
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0223	0.1849
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0067	0.0067
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0085	0.0072
Echinococcus multilocularis	muscleblind protein	0.015	0.0962	0.0962
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0223	0.1027
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.0741	0.3883
Echinococcus granulosus	geminin	0.071	0.4849	0.4849
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0223	0.1849
Trypanosoma cruzi	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.0281	1
Brugia malayi	Muscleblind-like protein	0.015	0.0962	0.095
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0223	0.7555
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0905	0.0905
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.0832	0.4387
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0254	0.0254
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.0601	0.0601
Onchocerca volvulus		0.0043	0.0223	1
Brugia malayi	hypothetical protein	0.0016	0.0034	0.0022
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0067	0.0067
Toxoplasma gondii	thioredoxin reductase	0.0052	0.0281	1
Entamoeba histolytica	hypothetical protein	0.0115	0.0717	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.023	0.023
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0067	0.0067
Leishmania major	glycerol uptake protein, putative	0.0021	0.0067	0.0877
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0018	0.0046	0.0046
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.0832	0.4387
Brugia malayi	hypothetical protein	0.0115	0.0717	0.0705
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0223	0.0223
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0018	0.0046	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0601	0.056
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0018	0.0046	0.0033
Echinococcus multilocularis	expressed conserved protein	0.0092	0.056	0.056
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0021	0.0067	0.0023
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.0741	0.3883
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0787	0.0787
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0021	0.0067	0.1161
Entamoeba histolytica	hypothetical protein	0.0115	0.0717	1
Brugia malayi	MBOAT family protein	0.0021	0.0067	0.0054
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0213	0.9428
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0223	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0067	0.0877
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0018	0.0046	0.0092
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0067	0.0067
Schistosoma mansoni	zinc finger protein	0.0021	0.0067	0.0067
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.0281	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0097	0.2155
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0018	0.0046	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0378	0.0336
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0085	0.2305
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0787	0.0787
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.0601	0.0589
Toxoplasma gondii	hypothetical protein	0.0021	0.0067	0.0877
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.1452	1	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.1261	0.1223
Loa Loa (eye worm)	MBOAT family protein	0.0021	0.0067	0.0023
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0021	0.0067	0.0067
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0905	0.0905
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.023	0.023
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.0832	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.0281	0.0281
Trichomonas vaginalis	porcupine, putative	0.0021	0.0067	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0085	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0067	0.0023
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0021	0.0067	0.0067
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.023	0.0188
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0223	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0097	0.2228
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.023	0.0218
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0223	0.1027
Plasmodium vivax	glutathione reductase, putative	0.0052	0.0281	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.0893	0.0893
Leishmania major	trypanothione reductase	0.0052	0.0281	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0067	0.1161
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0223	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.023	0.023
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0021	0.0067	0.0961
Loa Loa (eye worm)	RNA binding protein	0.0125	0.0787	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0067	0.0023
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0097	0.2228
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.0832	0.4387
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0223	0.018

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7943 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)	35.4813 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

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: CHEMBL1396066

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1283764