TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.436 | Formula: C19H18N4O3S
H donors: 2 H acceptors: 4 LogP: 3.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1c(C)cc(cc1C)/N=N/c1ccc(cc1)S(=O)(=O)Nc1ccccn1
InChi: 1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+
InChiKey: UPZISPNEBVCTRN-QURGRASLSA-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	SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 4	Starlite/ChEMBL	References
Homo sapiens	bromodomain containing 4	Starlite/ChEMBL	References
Homo sapiens	bromodomain containing 3	Starlite/ChEMBL	References
Homo sapiens	bromodomain containing 7	Starlite/ChEMBL	References
Homo sapiens	CREB binding protein	Starlite/ChEMBL	References
Mus musculus	bromodomain containing 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	transcriptional regulator	Get druggable targets OG5_127595	All targets in OG5_127595
Neospora caninum	hypothetical protein	Get druggable targets OG5_127595	All targets in OG5_127595
Echinococcus granulosus	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Loa Loa (eye worm)	CBP-B	Get druggable targets OG5_129174	All targets in OG5_129174
Echinococcus multilocularis	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma mansoni	CREB-binding protein 2	Get druggable targets OG5_129174	All targets in OG5_129174
Echinococcus granulosus	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma japonicum	Protein cbp-1, putative	Get druggable targets OG5_129174	All targets in OG5_129174
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus multilocularis	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Echinococcus multilocularis	bromodomain containing 2	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	Get druggable targets OG5_127595	All targets in OG5_127595
Brugia malayi	hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus multilocularis	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Schistosoma japonicum	IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing	Get druggable targets OG5_129174	All targets in OG5_129174
Echinococcus multilocularis	global transcription activator snf2l2	Get druggable targets OG5_127595	All targets in OG5_127595
Neospora caninum	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Candida albicans	two potential bromodomain protein similar to S. cerevisiae transcription regulator BDF1	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Brugia malayi	BRM protein	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	bromodomain containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma japonicum	ko:K04498 E1A/CREB-binding protein, putative	Get druggable targets OG5_129174	All targets in OG5_129174
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_133867	All targets in OG5_133867
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma mansoni	helicase	Get druggable targets OG5_127595	All targets in OG5_127595
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129174	All targets in OG5_129174
Plasmodium berghei	DEAD/DEAH helicase, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Echinococcus granulosus	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Candida albicans	DNA helicase	Get druggable targets OG5_127595	All targets in OG5_127595
Echinococcus granulosus	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Loa Loa (eye worm)	BRM protein	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Onchocerca volvulus		Get druggable targets OG5_126719	All targets in OG5_126719
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Cryptosporidium parvum	SWI/SNF related putative transcriptional regulator ATpase	Get druggable targets OG5_127595	All targets in OG5_127595
Echinococcus multilocularis	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma japonicum	ko:K08871 bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma japonicum	Homeotic gene regulator, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Plasmodium knowlesi	DEAD/DEAH helicase, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Plasmodium yoelii	Arabidopsis thaliana BRAHMA ortholog-related	Get druggable targets OG5_127595	All targets in OG5_127595
Neospora caninum	SNF2 family N-terminal domain-containing protein (EC 2.7.11.1), related	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Brugia malayi	TAZ zinc finger family protein	Get druggable targets OG5_129174	All targets in OG5_129174
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Giardia lamblia	Kinase, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Cryptosporidium parvum	brahma like protein with a HSA domain, SNF2 like helicase and a bromo domain	Get druggable targets OG5_127595	All targets in OG5_127595
Schistosoma japonicum	ko:K01529 SMARCA2, SNF2L2; SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2 [EC	Get druggable targets OG5_127595	All targets in OG5_127595
Loa Loa (eye worm)	bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Toxoplasma gondii	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129174	All targets in OG5_129174
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus multilocularis	CREB binding protein	Get druggable targets OG5_129174	All targets in OG5_129174
Schistosoma mansoni	bromodomain-containing protein 3 brd3	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus granulosus	global transcription activator snf2l2	Get druggable targets OG5_127595	All targets in OG5_127595
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Candida albicans	transcriptional regulator	Get druggable targets OG5_127595	All targets in OG5_127595
Candida albicans	DNA helicase	Get druggable targets OG5_127595	All targets in OG5_127595
Schistosoma japonicum	CREB-binding protein, putative	Get druggable targets OG5_129174	All targets in OG5_129174
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Plasmodium falciparum	DEAD/DEAH box helicase, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Echinococcus granulosus	bromodomain containing 2	Get druggable targets OG5_126719	All targets in OG5_126719
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133867	All targets in OG5_133867
Loa Loa (eye worm)	BRM protein	Get druggable targets OG5_127595	All targets in OG5_127595
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Candida albicans	two potential bromodomain protein similar to S. cerevisiae transcription regulator BDF1	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	lymphoid specific helicase, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Plasmodium vivax	DEAD/DEAH helicase, putative	Get druggable targets OG5_127595	All targets in OG5_127595
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	Get druggable targets OG5_129174	All targets in OG5_129174
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719

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 leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0064	0.0684	0.5
Trichomonas vaginalis	lymphoid specific helicase, putative	0.0038	0.0287	0.0572
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0524	0.7907	1
Brugia malayi	hypothetical protein	0.05	0.7538	0.7515
Schistosoma mansoni	isocitrate dehydrogenase	0.0064	0.0684	0.0761
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0064	0.0684	0.0761
Echinococcus multilocularis	isocitrate dehydrogenase	0.0524	0.7907	1
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0064	0.0684	0.06
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0524	0.7907	1
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0038	0.0287	0.0253
Echinococcus granulosus	CREB binding protein	0.0146	0.1976	0.2499
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0247	0.3555	1
Echinococcus granulosus	bromodomain containing 2	0.0247	0.3555	0.4496
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0524	0.7907	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0524	0.7907	0.7888
Trichomonas vaginalis	conserved hypothetical protein	0.0157	0.2148	0.5939
Leishmania major	isocitrate dehydrogenase, putative	0.0064	0.0684	0.0761
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0064	0.0684	0.06
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus granulosus	transcription initiation factor TFIID subunit 1	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	protein kinase C binding protein 1	0.0026	0.0089	0.0112
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0524	0.7907	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0026	0.0089	0.0112
Echinococcus granulosus	PH interacting protein	0.0026	0.0089	0.0112
Schistosoma mansoni	unc-13 (munc13)	0.0064	0.0684	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0657	1	1
Echinococcus granulosus	Bromodomain containing protein	0.0026	0.0089	0.0112
Brugia malayi	Probable isocitrate dehydrogenase	0.0064	0.0684	0.06
Onchocerca volvulus		0.0115	0.1496	1
Brugia malayi	isocitrate dehydrogenase	0.0524	0.7907	0.7888
Echinococcus granulosus	polybromo 1	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0157	0.2148	0.5939
Schistosoma mansoni	helicase	0.0105	0.1328	0.1585
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0064	0.0684	0.0865
Schistosoma mansoni	bromodomain containing	0.0215	0.3058	0.3797
Toxoplasma gondii	isocitrate dehydrogenase	0.0524	0.7907	1
Echinococcus multilocularis	zinc finger protein	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0064	0.0684	0.06
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0524	0.7907	1
Echinococcus multilocularis	ATPase family AAA domain containing protein 2B	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain containing protein, putative	0.0115	0.1496	0.4061
Echinococcus granulosus	zinc finger protein	0.0026	0.0089	0.0112
Echinococcus granulosus	bromodomain containing protein 7	0.0189	0.2654	0.3356
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.1496	0.4061
Echinococcus multilocularis	polybromo 1	0.0026	0.0089	0.0112
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0064	0.0684	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	Bromodomain containing protein	0.0115	0.1496	0.1893
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0026	0.0089	0.0112
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0524	0.7907	1
Toxoplasma gondii	bromodomain-containing protein	0.0115	0.1496	0.18
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0524	0.7907	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0524	0.7907	1
Loa Loa (eye worm)	CBP-B	0.0109	0.1389	0.1312
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	CREB binding protein	0.0108	0.1373	0.1736
Echinococcus multilocularis	Bromodomain containing protein	0.0026	0.0089	0.0112
Echinococcus granulosus	global transcription activator snf2l2	0.0105	0.1328	0.168
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0026	0.0089	0.0112
Brugia malayi	Bromodomain containing protein	0.0247	0.3555	0.3497
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0247	0.3555	0.4434
Entamoeba histolytica	bromodomain-containing protein	0.0115	0.1496	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0026	0.0089	0.0112
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0146	0.1976	0.2414
Echinococcus multilocularis	bromodomain containing protein 8	0.0026	0.0089	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0684	0.06
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0524	0.7907	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0247	0.3555	1
Loa Loa (eye worm)	BRM protein	0.0052	0.0498	0.0413
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0115	0.1496	0.4061
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0064	0.0684	0.0865
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0524	0.7907	1
Echinococcus granulosus	CREB binding protein	0.0099	0.124	0.1568
Echinococcus multilocularis	global transcription activator snf2l2	0.0105	0.1328	0.168
Loa Loa (eye worm)	bromodomain containing protein	0.0115	0.1496	0.142
Echinococcus granulosus	bromodomain containing protein 8	0.0026	0.0089	0.0112
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0524	0.7907	1
Echinococcus multilocularis	bromodomain containing protein 7	0.0189	0.2654	0.3356
Brugia malayi	Probable isocitrate dehydrogenase	0.0064	0.0684	0.06
Brugia malayi	TAZ zinc finger family protein	0.0146	0.1976	0.1904
Echinococcus granulosus	protein kinase C binding protein 1	0.0026	0.0089	0.0112
Echinococcus multilocularis		0.0026	0.0089	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0131	0.1744	0.4774
Echinococcus multilocularis	peregrin	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0157	0.2148	0.5939
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.0064	0.0684	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0524	0.7907	0.7888
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0064	0.0684	0.0865
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	PH interacting protein	0.0026	0.0089	0.0112
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0524	0.7907	1
Schistosoma mansoni	CREB-binding protein 2	0.0146	0.1976	0.2414
Loa Loa (eye worm)	BRM protein	0.0066	0.0713	0.063
Echinococcus granulosus	Bromodomain containing protein	0.0026	0.0089	0.0112
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0064	0.0684	0.06
Brugia malayi	BRM protein	0.0105	0.1328	0.125
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	bromodomain containing 2	0.0247	0.3555	0.4496
Echinococcus granulosus	peregrin	0.0026	0.0089	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0587	0.0502
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0064	0.0684	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0451	0.6763	0.6734
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0064	0.0684	0.4226
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0064	0.0684	0.1716
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0524	0.7907	1
Trichomonas vaginalis	bromodomain containing protein, putative	0.0157	0.2148	0.5939
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0524	0.7907	1
Giardia lamblia	Kinase, putative	0.0115	0.1496	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0115	0.1496	0.4061
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0524	0.7907	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0157	0.2148	0.5939
Entamoeba histolytica	bromodomain-containing protein	0.0115	0.1496	1
Schistosoma mansoni	hypothetical protein	0.0189	0.2654	0.3281
Entamoeba histolytica	bromodomain-containing protein	0.0115	0.1496	1
Echinococcus granulosus	ATPase family AAA domain containing protein 2B	0.0026	0.0089	0.0112
Brugia malayi	Bromodomain containing protein	0.0451	0.6763	0.6734

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 uM	Inhibition of BRD4 in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of NF-kappaB-mediated IL-6 expression preincubated for 30 mins followed by LPS stimulation measured after 24 hrs by ELISA	ChEMBL.	24144283
IC50 (binding)	= 46.3 uM	Inhibition of BRD4 in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of NF-kappaB-mediated nitric oxide production preincubated for 30 mins followed by LPS stimulation measured after 24 hrs by spectrophotometric analysis	ChEMBL.	24144283
Ki (binding)	= 6.04	Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 0.91 uM	Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 1.64 uM	Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 2.48 uM	Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 3.54 uM	Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 4.3 uM	Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	< 6.56 uM	Displacement of fluorescein-labeled MS239 from recombinant human SMARCA4 bromodomain after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283
Ki (binding)	= 7.15 uM	Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay	ChEMBL.	24144283

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: CHEMBL3087052

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1840806