TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.436 | Formula: C22H24N2O6
H donors: 2 H acceptors: 3 LogP: 2.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)C)C(=O)NC(=O)C(C1=O)N
InChi: 1S/C22H24N2O6/c1-3-28-13-12-22(19(25)18(23)20(26)24-21(22)27)30-17-10-8-16(9-11-17)29-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13,23H2,1-2H3,(H,24,26,27)
InChiKey: OCENTDLFDAKGHV-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 13 (collagenase 3)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 14 (membrane-inserted)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064
Brugia malayi	Matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064
Loa Loa (eye worm)	matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma japonicum	ko:K07996 matrix metalloproteinase-16 (membrane-inserted), putative	Get druggable targets OG5_129064	All targets in OG5_129064
Onchocerca volvulus	Matrilysin homolog	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma japonicum	IPR002477,Peptidoglycan-binding domain 1;IPR009070,Peptidoglycan binding-like,domain-containing	Get druggable targets OG5_129064	All targets in OG5_129064
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	Get druggable targets OG5_129064	All targets in OG5_129064

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 13 (collagenase 3)	471 aa	448 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0906	0.0906
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0239	0.1648	0.1205
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0366	0.313	0.313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0141	0.0504	0.034
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0141	0.0504	0.034
Loa Loa (eye worm)	matrixin family protein	0.0201	0.1207	0.1207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0141	0.0504	0.0504
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.0956	1	1
Schistosoma mansoni	adenosine deaminase-related	0.0176	0.0906	0.0906
Loa Loa (eye worm)	phosphatidylinositol 3	0.012	0.0255	0.0255
Trichomonas vaginalis	adenosine deaminase, putative	0.0176	0.0906	0.0749
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0956	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0141	0.0504	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0366	0.313	0.313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Brugia malayi	6-phosphofructokinase	0.0113	0.0169	0.0169
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0239	0.1648	0.1504
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0956	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0141	0.0504	0.034
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0141	0.0504	0.034
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0424	0.0424
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0261	0.1902	0.1762
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0839	0.8644	0.8621
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0239	0.1646	0.1645
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Echinococcus granulosus	adenosylhomocysteinase	0.0956	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.1902	0.1902
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.089	0.9236	0.9236
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.3044	0.3044
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0141	0.0504	0.034
Mycobacterium leprae	conserved hypothetical protein	0.0141	0.0504	0.034
Entamoeba histolytica	hypothetical protein	0.0141	0.0504	0.034
Loa Loa (eye worm)	phosphatidylinositol 3	0.0141	0.0504	0.0504
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0239	0.1648	0.8187
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0176	0.0906	0.0904
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.1902	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0239	0.1648	0.1648
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0141	0.0504	0.0502
Brugia malayi	thymidylate synthase	0.0119	0.0244	0.0244
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0141	0.0504	0.034
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0239	0.1648	0.1504
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.3044	0.2925
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.089	0.9236	0.9223
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0141	0.0504	0.0504
Echinococcus granulosus	serine protein kinase ATM	0.0141	0.0504	0.034
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0239	0.1648	0.1648
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.3044	0.2925
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0261	0.1902	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0141	0.0504	0.0504
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0261	0.1902	0.1762
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0141	0.0504	0.034
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.3046	0.3045
Leishmania major	hypothetical protein, conserved	0.0141	0.0504	0.034
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0259	0.1879	0.174
Loa Loa (eye worm)	thymidylate synthase	0.0119	0.0244	0.0244
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0141	0.0504	0.0504
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0259	0.1879	0.174
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0141	0.0504	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0261	0.1902	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0141	0.0504	0.034
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0167	0.081	0.0322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0956	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Loa Loa (eye worm)	phosphatidylinositol kinase	0.089	0.9236	0.9236
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0141	0.0504	0.034
Echinococcus multilocularis	thymidylate synthase	0.0119	0.0244	0.0076
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.0169	0.0169
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0141	0.0504	0.0504
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0359	0.3044	0.2925
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.089	0.9236	0.9236
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.1902	0.1902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0176	0.0906	0.0749
Trichomonas vaginalis	adenosine deaminase, putative	0.0176	0.0906	0.0749
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.0169	0.0169
Brugia malayi	6-phosphofructokinase	0.0113	0.0169	0.0169
Leishmania major	phosphatidylinositol kinase, putative	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus multilocularis	adenosine deaminase	0.0176	0.0906	0.0749
Brugia malayi	phosphofructokinase	0.0113	0.0169	0.0169
Mycobacterium ulcerans	adenosine deaminase	0.0176	0.0906	0.0749
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1472
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0141	0.0504	0.034
Leishmania major	hypothetical protein, unknown function	0.0141	0.0504	0.034
Echinococcus granulosus	adenosine deaminase	0.0176	0.0906	0.0749
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0366	0.313	0.313
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.1902	0.1762
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0141	0.0504	0.0504
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0141	0.0504	0.0504
Onchocerca volvulus	Matrilysin homolog	0.0192	0.1096	0.1108
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0261	0.1902	0.1902
Brugia malayi	Matrixin family protein	0.0201	0.1207	0.1207
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0141	0.0504	0.0504
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.1902	0.1902
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.03	0.2355	0.2223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0261	0.1902	0.1762
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0239	0.1648	0.1205
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.1902	0.19
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0141	0.0504	0.034
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0176	0.0906	0.0749
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0141	0.0504	0.034
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0238	0.0238
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.0169	0.0169
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0141	0.0504	0.034
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0141	0.0504	0.034
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0186	0.1025	0.1025
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0141	0.0504	0.034
Onchocerca volvulus		0.089	0.9236	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0504	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.3044	0.3044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.1902	0.1762
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0238	0.0238
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0956	1	1
Brugia malayi	Adenosine/AMP deaminase family protein	0.0176	0.0906	0.0906
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Plasmodium falciparum	adenosylhomocysteinase	0.0956	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0119	0.0244	0.0076
Loa Loa (eye worm)	phosphatidylinositol 3	0.089	0.9236	0.9236
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.3044	0.2925
Plasmodium vivax	adenosine deaminase, putative	0.0176	0.0906	0.0423
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.081	0.0322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.1902	0.1902
Onchocerca volvulus		0.089	0.9236	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0261	0.1902	0.1902
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0359	0.3044	0.2925
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0141	0.0504	0.034
Onchocerca volvulus	Adenosine deaminase homolog	0.0176	0.0906	0.0899
Echinococcus multilocularis		0.0239	0.1648	0.1504
Entamoeba histolytica	hypothetical protein	0.0141	0.0504	0.034
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0261	0.1902	0.1762
Loa Loa (eye worm)	hypothetical protein	0.0261	0.1902	0.1902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0261	0.1902	0.1762
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Echinococcus multilocularis	Zinc finger, PHD finger	0.0261	0.1902	0.1762
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0141	0.0504	0.0502
Entamoeba histolytica	adenosine deaminase, putative	0.0176	0.0906	0.0749
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.1902	0.1762
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0141	0.0504	0.0504
Entamoeba histolytica	hypothetical protein	0.0141	0.0504	0.034
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0167	0.081	0.0652
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.012	0.0255	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0141	0.0504	0.034
Entamoeba histolytica	adenosine deaminase, putative	0.0176	0.0906	0.0749
Entamoeba histolytica	hypothetical protein	0.0261	0.1902	0.1762
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0167	0.081	0.0652
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0141	0.0504	0.034
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0141	0.0504	0.0502
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0261	0.1902	0.1762
Schistosoma mansoni	adenosylhomocysteinase	0.0591	0.5753	0.5753
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0176	0.0906	0.0904
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.0956	1	1
Loa Loa (eye worm)	phosphofructokinase	0.0113	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0504	0.0504
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0141	0.0504	0.034
Schistosoma mansoni	adenosine deaminase	0.0176	0.0906	0.0906
Onchocerca volvulus		0.0119	0.0244	0.0177
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0239	0.1648	0.1648
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0694	0.6947	0.6947
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0359	0.3044	0.2925
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0956	1	1
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0956	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0141	0.0504	0.034
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0141	0.0504	0.034
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0359	0.3044	0.3044
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0141	0.0504	0.034
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0141	0.0504	0.0504
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.1902	0.1902
Loa Loa (eye worm)	phosphatidylinositol 3	0.0141	0.0504	0.0504
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0239	0.1648	0.1648
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.1902	0.1902
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0366	0.313	0.3011
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0119	0.0244	0.0076
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.0169	0.0169
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0359	0.3044	0.3044
Loa Loa (eye worm)	hypothetical protein	0.089	0.9236	0.9236
Schistosoma mansoni	peptidylglycine monooxygenase	0.0366	0.313	0.313
Toxoplasma gondii	FATC domain-containing protein	0.0141	0.0504	0.0502
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.081	0.0808
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0366	0.313	0.313
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.1902	0.1762
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Mycobacterium ulcerans	thymidylate synthase	0.0119	0.0244	0.0076
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0359	0.3044	0.3044
Loa Loa (eye worm)	phosphatidylinositol 3	0.089	0.9236	0.9236
Schistosoma mansoni	hypothetical protein	0.0141	0.0504	0.0504
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0141	0.0504	0.0504
Treponema pallidum	adenosine deaminase	0.0176	0.0906	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0359	0.3044	0.2925
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0261	0.1902	0.1472
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.1902	0.1762
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0141	0.0504	0.0504
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0956	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0167	0.081	0.081
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.0169	0.0169
Loa Loa (eye worm)	phosphatidylinositol 3	0.0239	0.1648	0.1648
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0134	0.0424	0.0424
Schistosoma mansoni	adenosylhomocysteinase	0.0591	0.5753	0.5753
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0141	0.0504	0.0502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0141	0.0504	0.034
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.1902	0.1902
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0141	0.0504	0.0504
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0141	0.0504	0.034
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.089	0.9236	0.9223
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.089	0.9236	0.9223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0366	0.313	0.3011
Loa Loa (eye worm)	adenosylhomocysteinase	0.0956	1	1
Schistosoma mansoni	adenosylhomocysteinase	0.0591	0.5753	0.5753
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.089	0.9236	0.9236
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0261	0.1902	0.1762
Schistosoma mansoni	adenosylhomocysteinase	0.0591	0.5753	0.5753
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0956	1	1
Loa Loa (eye worm)	hypothetical protein	0.0366	0.313	0.313
Entamoeba histolytica	hypothetical protein	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0239	0.1648	0.1504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Schistosoma mansoni	adenosylhomocysteinase	0.0956	1	1
Leishmania major	adenine aminohydrolase	0.0176	0.0906	0.0749
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0141	0.0504	0.0504
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0956	1	1
Echinococcus multilocularis	adenosylhomocysteinase	0.0956	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0261	0.1902	0.1762
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0119	0.0244	0.0244
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0956	1	1
Leishmania major	S-adenosylhomocysteine hydrolase	0.0956	1	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0238	0.0238
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0141	0.0504	0.034
Loa Loa (eye worm)	matrixin family protein	0.0105	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0238	0.0238
Echinococcus granulosus	thymidylate synthase	0.0119	0.0244	0.0076
Entamoeba histolytica	protein kinase rad3, putative	0.0141	0.0504	0.034
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.018	0.0962	0.0962
Loa Loa (eye worm)	phosphatidylinositol 3	0.0141	0.0504	0.0504
Plasmodium falciparum	adenosine deaminase	0.0176	0.0906	0.0423
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Echinococcus multilocularis	serine protein kinase ATM	0.0141	0.0504	0.034
Trypanosoma cruzi	target of rapamycin kinase 3	0.0141	0.0504	0.0504
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0141	0.0504	0.034
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0141	0.0504	0.034
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.089	0.9236	0.9223
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.012	0.0255	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0504	0.034
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0141	0.0504	0.0504
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0261	0.1902	0.1762
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0261	0.1902	0.1902
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0141	0.0504	0.0504

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.1 nM	Inhibitory concentration against matrix metalloproteinase 13	ChEMBL.	15780611
IC50 (binding)	= 2.1 nM	Inhibitory concentration against matrix metalloproteinase 13	ChEMBL.	15780611
IC50 (binding)	= 23 nM	Inhibitory concentration against matrix metalloproteinase 14	ChEMBL.	15780611
IC50 (binding)	= 23 nM	Inhibitory concentration against matrix metalloproteinase 14	ChEMBL.	15780611
Ratio (binding)	= 11	Ratio of matrix metalloproteinase 13 to matrix metalloproteinase 14 against the compound was determined	ChEMBL.	15780611

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.

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External resources for this compound

ChEMBL: CHEMBL369524

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 317863