TDR Targets

Basic information

Technical information

TDR Targets ID: 336228
Name: 5-[4-(4-bromophenoxy)phenyl]-5-[4-(2-hydroxye thyl)piperazin-1-yl]-2-sulfanylidene-1,3-diaz inane-4,6-dione
MW: 519.411 | Formula: C22H23BrN4O4S
H donors: 3 H acceptors: 3 LogP: 2.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OCCN1CCN(CC1)C1(C(=O)NC(=S)NC1=O)c1ccc(cc1)Oc1ccc(cc1)Br
InChi: 1S/C22H23BrN4O4S/c23-16-3-7-18(8-4-16)31-17-5-1-15(2-6-17)22(19(29)24-21(32)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,32)
InChiKey: URXHOHGQEBFJOX-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

5-[4-(4-bromophenoxy)phenyl]-5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-thioxo-hexahydropyrimidine-4,6-dione
5-[4-(4-bromophenoxy)phenyl]-5-[4-(2-hydroxyethyl)-1-piperazinyl]-2-thioxohexahydropyrimidine-4,6-dione
5-[4-(4-bromophenoxy)phenyl]-5-[4-(2-hydroxyethyl)piperazino]-2-thioxo-hexahydropyrimidine-4,6-quinone
5-[4-(4-bromophenoxy)phenyl]-5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-thioxo-hexahydropyrimidine-4,6-quinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0122	0.0118
Plasmodium falciparum	replication factor C subunit 1, putative	0.0019	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Brugia malayi	Histone deacetylase 1	0.0654	0.6946	0.7052
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.0525	0.052
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0062	0.0058
Schistosoma mansoni	chromosome transmission fidelity factor	0.0019	0.0018	0.0013
Entamoeba histolytica	histone deacetylase, putative	0.0654	0.6946	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0124
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1289	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Schistosoma mansoni	hypothetical protein	0.0173	0.1694	0.1689
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.1289	0.1304
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0018	0.0019
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0122	0.0124
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0654	0.6946	0.7053
Schistosoma mansoni	topbp1	0.0019	0.0018	0.0013
Echinococcus granulosus	replication factor c subunit 1	0.0019	0.0018	0.0013
Echinococcus granulosus	acetylcholinesterase	0.0546	0.5767	0.5765
Schistosoma mansoni	hypothetical protein	0.0309	0.3177	0.3173
Trypanosoma brucei	histone deacetylase 2	0.0297	0.3052	0.3095
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0122	0.0117
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0038	0.0034
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0038	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0018	0.0019
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0019	0.0018	0.0019
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0122	0.0117
Loa Loa (eye worm)	matrixin family protein	0.0047	0.0316	0.0321
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.1347	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Onchocerca volvulus		0.0092	0.0813	0.2621
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0066	0.0061
Onchocerca volvulus		0.0092	0.0813	0.2621
Schistosoma mansoni	hypothetical protein	0.0041	0.0252	0.0247
Trypanosoma brucei	histone deacetylase 1	0.0654	0.6946	0.7052
Echinococcus multilocularis	histone deacetylase 6	0.092	0.9848	0.9848
Leishmania major	histone deacetylase, putative	0.092	0.9848	1
Echinococcus granulosus	histone deacetylase	0.092	0.9848	0.9848
Brugia malayi	hypothetical protein	0.0092	0.0813	0.0821
Loa Loa (eye worm)	histone deacetylase 3	0.0654	0.6946	0.7053
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0047	0.0316	0.0982
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0269	0.0273
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0019	0.0018	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Schistosoma mansoni	hypothetical protein	0.0036	0.02	0.0195
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0066	0.0236
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0884	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Loa Loa (eye worm)	histone deacetylase 1	0.0654	0.6946	0.7053
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0038	0.0033
Plasmodium vivax	histone deacetylase, putative	0.092	0.9848	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0038	0.0034
Brugia malayi	Carboxylesterase family protein	0.0092	0.0813	0.0821
Brugia malayi	histone deacetylase 11	0.0297	0.3052	0.3095
Leishmania major	histone deacetylase, putative	0.0654	0.6946	0.7052
Echinococcus granulosus	BC026374 protein S09 family	0.0092	0.0813	0.0808
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0066	0.0236
Brugia malayi	Matrixin family protein	0.0021	0.0036	0.0031
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0546	0.5767	0.5765
Onchocerca volvulus	Matrilysin homolog	0.0047	0.0316	0.0982
Trypanosoma cruzi	histone deacetylase, putative	0.092	0.9848	1
Mycobacterium ulcerans	hydrolase/amidase	0.0272	0.2779	1
Brugia malayi	Importin beta-1 subunit	0.0029	0.0122	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0005	0.0019
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0092	0.0813	0.1164
Brugia malayi	hypothetical protein	0.0019	0.0018	0.0013
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0357	0.3706	0.376
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0066	0.0067
Entamoeba histolytica	hypothetical protein	0.0036	0.02	0.0281
Trypanosoma cruzi	histone deacetylase 1, putative	0.0654	0.6946	0.7052
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0066	0.0061
Chlamydia trachomatis	DNA ligase	0.0019	0.0018	1
Schistosoma mansoni	gliotactin	0.0092	0.0813	0.0808
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0066	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0066	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0343	0.0348
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0343	0.0348
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0813	0.8686	0.8686
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1289	0.1284
Brugia malayi	hypothetical protein	0.0036	0.02	0.0198
Loa Loa (eye worm)	histone deacetylase 11	0.0297	0.3052	0.3099
Onchocerca volvulus		0.0092	0.0813	0.2621
Trypanosoma cruzi	FHA domain containing protein, putative	0.0019	0.0018	0.0013
Toxoplasma gondii	histone deacetylase HDAC4	0.0297	0.3052	0.3095
Entamoeba histolytica	hypothetical protein	0.0036	0.02	0.0281
Echinococcus granulosus	geminin	0.0173	0.1694	0.1689
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0066	0.0087
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0038	0.0034
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0309	0.3177	0.3226
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0884	0.0879
Schistosoma mansoni	ran	0.0021	0.0038	0.0033
Loa Loa (eye worm)	acetylcholinesterase 1	0.0546	0.5767	0.5856
Plasmodium falciparum	histone deacetylase 1	0.0654	0.6946	0.7053
Leishmania major	histone deacetylase, putative	0.0654	0.6946	0.7052
Brugia malayi	RNA, U transporter 1	0.0082	0.0704	0.071
Toxoplasma gondii	histone deacetylase HDAC5	0.0297	0.3052	0.3095
Echinococcus multilocularis	acetylcholinesterase	0.0546	0.5767	0.5765
Echinococcus granulosus	acetylcholinesterase	0.0546	0.5767	0.5765
Schistosoma mansoni	hypothetical protein	0.003	0.0132	0.0127
Toxoplasma gondii	histone deacetylase HDAC2	0.0654	0.6946	0.7052
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0066	0.0087
Schistosoma mansoni	importin beta-1	0.0029	0.0122	0.0117
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0082
Brugia malayi	Matrixin family protein	0.0021	0.0036	0.0031
Brugia malayi	Histone deacetylase family protein	0.092	0.9848	1
Brugia malayi	histone deacetylase 3 (HD3)	0.0654	0.6946	0.7052
Schistosoma mansoni	histone deacetylase 1 2 3	0.0297	0.3052	0.3048
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0019	0.0018	1
Plasmodium falciparum	histone deacetylase, putative	0.092	0.9848	1
Echinococcus multilocularis	neuroligin	0.0092	0.0813	0.0808
Echinococcus multilocularis	para nitrobenzyl esterase	0.0092	0.0813	0.0808
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0019	0.0018	0.0065
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0269	0.0264
Schistosoma mansoni	topbp1	0.0019	0.0018	0.0013
Trichomonas vaginalis	replication factor C large subunit, putative	0.0019	0.0018	0.0019
Schistosoma mansoni	P2X receptor subunit	0.0066	0.0525	0.052
Schistosoma mansoni	ran	0.0021	0.0038	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.005	0.0352	0.0347
Leishmania major	GTP-binding protein, putative	0.0021	0.0038	0.0034
Plasmodium vivax	replication factor C subunit 1, putative	0.0019	0.0018	0.0018
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0005	0.0005
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0122	0.0118
Echinococcus granulosus	histone deacetylase 6	0.092	0.9848	0.9848
Echinococcus granulosus	para nitrobenzyl esterase	0.0092	0.0813	0.0808
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0062	0.0058
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0066	0.0061
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0122	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.02	0.0195
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0019	0.0018	0.0019
Brugia malayi	Histone deacetylase family protein	0.092	0.9848	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1289	0.1284
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0038	0.0048
Loa Loa (eye worm)	transcription factor SMAD2	0.0234	0.2356	0.2393
Schistosoma mansoni	histone deacetylase 4 5	0.092	0.9848	0.9848
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0269	0.038
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0092	0.0813	0.0808
Plasmodium vivax	histone deacetylase 1, putative	0.0654	0.6946	0.7053
Echinococcus multilocularis	carboxylesterase 5A	0.0546	0.5767	0.5765
Echinococcus multilocularis	nibrin	0.0019	0.0018	0.0013
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0021	0.0036	0.0031
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0038	0.0033
Schistosoma mansoni	hypothetical protein	0.0034	0.0173	0.0168
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0654	0.6946	1
Echinococcus multilocularis	histone deacetylase 6	0.0934	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0269	0.0264
Echinococcus multilocularis	snurportin 1	0.0309	0.3177	0.3173
Echinococcus granulosus	histone deacetylase 3	0.0654	0.6946	0.6944
Loa Loa (eye worm)	hypothetical protein	0.0622	0.6602	0.6704
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0373	0.0379
Echinococcus multilocularis	protein patched	0.0042	0.0269	0.0264
Echinococcus granulosus	neuroligin	0.0092	0.0813	0.0808
Mycobacterium leprae	PROBABLE HYDROLASE	0.0026	0.0086	1
Echinococcus multilocularis	histone deacetylase 7	0.092	0.9848	0.9848
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0019	0.0018	0.0019
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0005	0.0005
Brugia malayi	Carboxylesterase family protein	0.0546	0.5767	0.5854
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.1289	0.1309
Brugia malayi	MH2 domain containing protein	0.0234	0.2356	0.2389
Echinococcus granulosus	expressed conserved protein	0.0093	0.0819	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0844	0.902	0.916
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0036	0.0036
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0343	0.0343
Echinococcus granulosus	histone deacetylase 6	0.092	0.9848	0.9848
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0086	0.0087
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.02	0.0195
Onchocerca volvulus		0.0021	0.0036	0.0059
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0018	0.0019
Loa Loa (eye worm)	MH2 domain-containing protein	0.0234	0.2356	0.2393
Entamoeba histolytica	hypothetical protein	0.0019	0.0018	0.0019
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.0525	0.052
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0819	0.0814
Entamoeba histolytica	Ran family GTPase	0.0021	0.0038	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Trichomonas vaginalis	ran, putative	0.0021	0.0038	0.0048
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0066	0.0807
Brugia malayi	DKFZp564C0469 protein	0.0019	0.0018	0.0013
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0026	0.0086	0.0082
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0066	0.0236
Schistosoma mansoni	histone deacetylase hda2	0.0934	1	1
Brugia malayi	CHE-14 protein	0.0042	0.0269	0.0268
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1289	0.1284
Loa Loa (eye worm)	histone deacetylase 7A	0.092	0.9848	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0066	0.0807
Giardia lamblia	Replication factor C, subunit 1	0.0019	0.0018	0.0019
Brugia malayi	hypothetical protein	0.0019	0.0018	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0173	0.0176
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0066	0.0087
Schistosoma mansoni	P2X receptor subunit	0.0066	0.0525	0.052
Trypanosoma brucei	histone deacetylase 4	0.092	0.9848	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0066	0.0236
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.0525	0.052
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.1347	0.1342
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0077	0.0642	0.0637
Echinococcus multilocularis	geminin	0.0173	0.1694	0.1689
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0066	0.0236
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0813	0.0808
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0018	0.0019
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0092	0.0813	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0038	0.0039
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0654	0.6946	1
Brugia malayi	Carboxylesterase family protein	0.0546	0.5767	0.5854
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.0901	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1799	0.1827
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.02	0.0195
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0026	0.0086	0.1057
Brugia malayi	hypothetical protein	0.052	0.5481	0.5563
Echinococcus multilocularis	replication factor c subunit 1	0.0019	0.0018	0.0013
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0038	0.0034
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0018	0.0013
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0884	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0036	0.0036
Trypanosoma cruzi	histone deacetylase 1, putative	0.0654	0.6946	0.7052
Entamoeba histolytica	hypothetical protein	0.0023	0.0062	0.0082
Loa Loa (eye worm)	hypothetical protein	0.052	0.5481	0.5566
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0357	0.3706	0.376
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0019	0.0018	0.0013
Toxoplasma gondii	histone deacetylase HDAC1	0.092	0.9848	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0018	0.0019
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0884	0.0893
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1289	0.1284
Brugia malayi	Matrixin family protein	0.0051	0.0362	0.0362
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0092	0.0813	1
Schistosoma mansoni	P2X receptor subunit	0.0066	0.0525	0.052
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0036	0.0036
Echinococcus granulosus	p2X purinoceptor 4	0.0066	0.0525	0.052
Trypanosoma cruzi	histone deacetylase, putative	0.0297	0.3052	0.3095
Loa Loa (eye worm)	hypothetical protein	0.0546	0.5767	0.5856
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.0525	0.052
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0813	0.0808
Brugia malayi	Pax transcription activation domain interacting protein	0.0019	0.0018	0.0013
Trypanosoma brucei	histone deacetylase 3	0.092	0.9848	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0884	0.0898
Brugia malayi	Carboxylesterase family protein	0.0092	0.0813	0.0821
Trypanosoma cruzi	histone deacetylase, putative	0.092	0.9848	1
Onchocerca volvulus		0.003	0.0132	0.0375
Loa Loa (eye worm)	carboxylesterase	0.0092	0.0813	0.0826
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0813	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0546	0.5767	0.5856
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0334	0.0329
Plasmodium falciparum	histone deacetylase 2	0.092	0.9848	1
Trypanosoma cruzi	histone deacetylase, putative	0.092	0.9848	1
Treponema pallidum	DNA ligase (lig)	0.0019	0.0018	1
Echinococcus multilocularis	histone deacetylase 6	0.092	0.9848	0.9848
Loa Loa (eye worm)	matrixin family protein	0.0051	0.0362	0.0367
Schistosoma mansoni	DNA ligase IV	0.0019	0.0018	0.0013
Brugia malayi	Hemopexin family protein	0.003	0.0132	0.0129
Echinococcus granulosus	carboxylesterase 5A	0.0546	0.5767	0.5765
Leishmania major	histone deacetylase, putative	0.092	0.9848	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0343	0.0343
Onchocerca volvulus		0.0092	0.0813	0.2621
Schistosoma mansoni	histone deacetylase	0.0654	0.6946	0.6944
Schistosoma mansoni	patched 1	0.0042	0.0269	0.0264
Trypanosoma cruzi	histone deacetylase, putative	0.0297	0.3052	0.3095
Schistosoma mansoni	hypothetical protein	0.0173	0.1694	0.1689
Echinococcus multilocularis	histone deacetylase 8	0.0297	0.3052	0.3048
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0019	0.0018	0.0019
Brugia malayi	Matrixin family protein	0.0021	0.0036	0.0031
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0092	0.0813	0.0808
Brugia malayi	Carboxylesterase family protein	0.0092	0.0813	0.0821
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0066	0.7003
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0077	0.0642	0.0637
Mycobacterium ulcerans	carboxylesterase, LipT	0.0092	0.0813	0.2927
Echinococcus multilocularis	acetylcholinesterase	0.0546	0.5767	0.5765
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0038	0.0034
Schistosoma mansoni	acetylcholinesterase	0.0092	0.0813	0.0808
Onchocerca volvulus		0.0024	0.0066	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Brugia malayi	Carboxylesterase family protein	0.0092	0.0813	0.0821
Loa Loa (eye worm)	carboxylesterase	0.0092	0.0813	0.0826
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0066	0.0236
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0654	0.6946	1
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0297	0.3052	1
Brugia malayi	Matrixin family protein	0.0021	0.0036	0.0031
Brugia malayi	histone deacetylase 1 (HD1)	0.0654	0.6946	0.7052
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0173	0.017
Trichomonas vaginalis	spcc417.12 protein, putative	0.0092	0.0813	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0297	0.3052	0.3099
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0357	0.3706	0.376
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0269	0.0264
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0066	0.0236
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0066	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0357	0.3706	0.3764
Plasmodium vivax	histone deacetylase, putative	0.0297	0.3052	0.3099
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0066	0.7003
Toxoplasma gondii	histone deacetylase HDAC3	0.0654	0.6946	0.7052
Loa Loa (eye worm)	hypothetical protein	0.0636	0.6754	0.6859
Entamoeba histolytica	hypothetical protein	0.0036	0.02	0.0281
Trypanosoma brucei	histone deacetylase, putative	0.092	0.9848	1
Plasmodium falciparum	importin beta, putative	0.0029	0.0122	0.0124
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0019	0.0018	0.0019
Echinococcus granulosus	snurportin 1	0.0309	0.3177	0.3173
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0019	0.0018	0.0013
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1289	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0844	0.902	0.916
Loa Loa (eye worm)	matrix metalloproteinase	0.0021	0.0036	0.0036
Echinococcus multilocularis	histone deacetylase 3	0.0654	0.6946	0.6944
Echinococcus granulosus	nibrin	0.0019	0.0018	0.0013
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0066	0.0061
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0018	0.0013
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0092	0.0813	1
Echinococcus multilocularis	histone deacetylase	0.092	0.9848	0.9848
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0062	0.0082
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0005	0.0064
Echinococcus granulosus	histone deacetylase 1	0.0654	0.6946	0.6944
Entamoeba histolytica	hypothetical protein	0.0036	0.02	0.0281
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0066	0.0061
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0019	0.0018	0.0013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1289	0.1284
Trichomonas vaginalis	histone deacetylase, putative	0.0654	0.6946	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0252	0.0247
Leishmania major	C-8 sterol isomerase-like protein	0.0357	0.3706	0.376
Toxoplasma gondii	ATPase, AAA family protein	0.0019	0.0018	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0066	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Echinococcus multilocularis	histone deacetylase 1	0.0654	0.6946	0.6944
Schistosoma mansoni	hypothetical protein	0.0041	0.0252	0.0247
Schistosoma mansoni	P2X receptor subunit	0.0066	0.0525	0.052
Loa Loa (eye worm)	carboxylesterase	0.0546	0.5767	0.5856
Loa Loa (eye worm)	histone deacetylase	0.092	0.9848	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0082
Giardia lamblia	Histone deacetylase	0.0654	0.6946	1
Echinococcus granulosus	histone deacetylase 7	0.092	0.9848	0.9848
Plasmodium vivax	histone deacetylase 2, putative	0.092	0.9848	1
Brugia malayi	topoisomerase	0.0019	0.0018	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0269	0.0273
Schistosoma mansoni	histone deacetylase	0.0654	0.6946	0.6944
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0092	0.0813	0.0808
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0092	0.0813	0.0808
Onchocerca volvulus	Matrilysin homolog	0.0021	0.0036	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0813	0.0826
Mycobacterium ulcerans	hydrolase	0.0026	0.0086	0.0309
Schistosoma mansoni	histone deacetylase 4 5	0.092	0.9848	0.9848
Echinococcus multilocularis	p2X purinoceptor 4	0.0066	0.0525	0.052
Schistosoma mansoni	histone deacetylase hda2	0.0297	0.3052	0.3048
Onchocerca volvulus		0.0092	0.0813	0.2621
Schistosoma mansoni	hypothetical protein	0.0041	0.0252	0.0247
Schistosoma mansoni	BC026374 protein (S09 family)	0.0092	0.0813	0.0808
Echinococcus granulosus	histone deacetylase 8	0.0297	0.3052	0.3048
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0038	0.0039

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	nM	In vitro inhibition of human Matrix metalloproteinase 9; n.d.=not determined	ChEMBL.	15857146
IC50 (binding)	0 nM	In vitro inhibition of human Matrix metalloproteinase 9; n.d.=not determined	ChEMBL.	15857146
IC50 (binding)	= 7.21 nM	In vitro inhibition of human Matrix metalloproteinase 2	ChEMBL.	15857146
IC50 (binding)	= 7.21 nM	In vitro inhibition of human Matrix metalloproteinase 2	ChEMBL.	15857146
logD (ADMET)	= 3.85	Partition coefficient (logD7.4)	ChEMBL.	15857146

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: CHEMBL362912
PubChem: 11168326

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 336228