TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.551 | Formula: C24H34N4O5
H donors: 4 H acceptors: 4 LogP: 1.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)[C@H]1NC(=O)[C@H](CC(C)C)[C@H](OCCCCn2cc(C1)c1ccccc21)C(=O)NO
InChi: 1S/C24H34N4O5/c1-15(2)12-18-21(24(31)27-32)33-11-7-6-10-28-14-16(17-8-4-5-9-20(17)28)13-19(23(30)25-3)26-22(18)29/h4-5,8-9,14-15,18-19,21,32H,6-7,10-13H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,21+/m1/s1
InChiKey: URNHVXGRPYRYOM-DYXWJJEUSA-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	ADAM metallopeptidase domain 17	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 1 (interstitial collagenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656
Schistosoma mansoni	ADAM17 peptidase (M12 family)	Get druggable targets OG5_132656	All targets in OG5_132656
Schistosoma japonicum	ko:K06059 a disintegrin and metalloproteinase domain 17, putative	Get druggable targets OG5_132656	All targets in OG5_132656

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 3 (stromelysin 1, progelatinase)	477 aa	431 aa	34.6 %
Brugia malayi	Disintegrin family protein	ADAM metallopeptidase domain 17	824 aa	724 aa	27.4 %
Brugia malayi	Matrixin family protein	matrix metallopeptidase 1 (interstitial collagenase)	403 aa	401 aa	27.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Kinesin motor domain containing protein	0.0107	0.1048	0.2761
Brugia malayi	Matrixin family protein	0.0053	0.0371	0.0977
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0119	0.1197	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0159	0.1519
Entamoeba histolytica	kinesin, putative	0.0107	0.1048	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1014	0.2671
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0264	0.2202
Brugia malayi	Bromodomain containing protein	0.0068	0.0563	0.1482
Toxoplasma gondii	hypothetical protein	0.0038	0.0185	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0371	0.0665
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0185	0.0304
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0383	0.0383
Brugia malayi	PHD-finger family protein	0.0068	0.0563	0.1482
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0264	0.2202
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0038	0.0185	0.359
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0052	0.0367	0.0968
Echinococcus multilocularis	adam 17 protease	0.0223	0.2504	0.2504
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0264	0.0264
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0054	0.0383	0.3196
Brugia malayi	MAP kinase sur-1	0.0054	0.0383	0.1008
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0185	0.0487
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0105	0.103	0.103
Brugia malayi	glutaminase DH11.1	0.0326	0.3797	1
Echinococcus granulosus	phd:f box containing protein	0.0037	0.0177	0.0177
Echinococcus multilocularis	adam	0.0039	0.0197	0.0197
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0054	0.0383	0.0383
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0248	0.2822	0.5057
Echinococcus granulosus	adam 17 protease	0.0245	0.2782	0.2782
Brugia malayi	F/Y-rich N-terminus family protein	0.0024	0.0006	0.0016
Schistosoma mansoni	lipoxygenase	0.0063	0.0498	0.0575
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus multilocularis	kinesin family 1	0.0821	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0054	0.0383	0.0383
Entamoeba histolytica	hypothetical protein	0.0036	0.0159	0.1519
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.2761	0.7273
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0158	0.0182
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0037	0.0177	0.1476
Brugia malayi	jmjC domain containing protein	0.0037	0.0177	0.0465
Schistosoma mansoni	jumonji domain containing protein	0.0234	0.264	0.3047
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0119	0.1197	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0185	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0515	0.0922
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0383	0.1008
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0052	0.0367	0.0367
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0054	0.0383	0.3196
Plasmodium falciparum	phd finger protein, putative	0.0068	0.0563	0.4429
Echinococcus granulosus	mitogen activated protein kinase	0.0054	0.0383	0.0383
Loa Loa (eye worm)	PHD-finger family protein	0.0068	0.0563	0.1008
Echinococcus granulosus	jumonji domain containing 1A	0.0037	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0177	0.0317
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Mycobacterium ulcerans	hydrolase	0.0064	0.0515	0.1356
Brugia malayi	jmjC domain containing protein	0.0037	0.0177	0.0465
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.0264	0.5
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1361	0.2439
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0264	0.0694
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus multilocularis	lysine specific demethylase 6a	0.0037	0.0177	0.0177
Giardia lamblia	PHD finger protein 15	0.0068	0.0563	0.5368
Onchocerca volvulus	Matrilysin homolog	0.0117	0.1174	0.3285
Plasmodium vivax	hypothetical protein, conserved	0.0068	0.0563	0.4548
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0054	0.0383	0.2525
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0081	0.0724	0.1906
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0119	0.1197	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0037	0.0177	0.0177
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0038	0.0185	0.359
Brugia malayi	Matrixin family protein	0.0053	0.0371	0.0977
Schistosoma mansoni	hypothetical protein	0.0036	0.0159	0.0184
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0383	0.1008
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Toxoplasma gondii	PHD-finger domain-containing protein	0.0068	0.0563	0.4548
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0053	0.0371	0.0428
Echinococcus granulosus	adam	0.0039	0.0197	0.0197
Echinococcus granulosus	muscleblind protein	0.0148	0.157	0.157
Onchocerca volvulus		0.0075	0.0646	0.158
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0119	0.1197	0.1197
Brugia malayi	Matrixin family protein	0.0053	0.0371	0.0977
Schistosoma mansoni	phd/f-box containing protein	0.0037	0.0177	0.0204
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0037	0.0177	0.0177
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0185	0.0331
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.0383	0.3196
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0039	0.0197	0.0227
Brugia malayi	Inositol-1	0.0044	0.0264	0.0694
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0159	0.0159
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1014	0.2671
Toxoplasma gondii	hypothetical protein	0.0104	0.1014	0.9619
Brugia malayi	jmjC domain containing protein	0.0037	0.0177	0.0465
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0383	0.1008
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0383	0.0686
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0264	0.0264
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0383	0.1008
Echinococcus multilocularis	lysine specific demethylase 5A	0.0139	0.1456	0.1456
Brugia malayi	Hemopexin family protein	0.0075	0.0646	0.1703
Toxoplasma gondii	PHD-finger domain-containing protein	0.0068	0.0563	0.4548
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0054	0.0383	0.3196
Onchocerca volvulus		0.0053	0.0371	0.0689
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0264	0.0694
Echinococcus granulosus	PHD finger protein rhinoceros	0.0068	0.0563	0.0563
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0054	0.0383	0.3196
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0177	0.0317
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0158	0.0182
Loa Loa (eye worm)	glutaminase 2	0.0326	0.3797	0.6805
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0063	0.0498	0.0498
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0052	0.0367	0.0968
Trichomonas vaginalis	set domain proteins, putative	0.0283	0.3251	0.8564
Mycobacterium leprae	PROBABLE HYDROLASE	0.0064	0.0515	1
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0264	0.0304
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0139	0.1456	0.168
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0371	0.0665
Echinococcus granulosus	peregrin	0.0068	0.0563	0.0563
Trichomonas vaginalis	glutaminase, putative	0.0326	0.3797	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.0264	0.2514
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0052	0.0367	0.0968
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0158	0.0158
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0119	0.1197	0.1197
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0068	0.0563	0.0649
Echinococcus multilocularis	muscleblind protein	0.0148	0.157	0.157
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1014	0.2671
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0191	0.2109	0.2109
Onchocerca volvulus		0.0283	0.3251	1
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0105	0.103	0.1189
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0037	0.0177	0.0214
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0367	0.0658
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0039	0.0206	0.3997
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0052	0.0367	0.0968
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0264	0.2202
Onchocerca volvulus	Alhambra homolog	0.0068	0.0563	0.1309
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.157	0.157
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.0383	0.365
Brugia malayi	Matrixin family protein	0.0127	0.1306	0.3439
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0223	0.2504	0.289
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.014	0.1464	0.1464
Echinococcus multilocularis	microtubule associated protein 2	0.0685	0.8296	0.8296
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0107	0.1048	0.1879
Schistosoma mansoni	microtubule-associated protein tau	0.0685	0.8296	0.9576
Loa Loa (eye worm)	jmjC domain-containing protein	0.014	0.1469	0.2633
Loa Loa (eye worm)	matrixin family protein	0.0127	0.1306	0.234
Brugia malayi	jmjC domain containing protein	0.0037	0.0177	0.0465
Echinococcus granulosus	jumonji domain containing protein	0.0095	0.0896	0.0896
Mycobacterium ulcerans	glutaminase	0.0326	0.3797	1
Schistosoma mansoni	phosphatidylserine receptor	0.0037	0.0177	0.0204
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0177	0.0317
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0063	0.0498	0.0498
Brugia malayi	jmjC domain containing protein	0.0279	0.3213	0.8463
Loa Loa (eye worm)	matrix metalloproteinase	0.0053	0.0371	0.0665
Echinococcus granulosus	microtubule associated protein 2	0.0685	0.8296	0.8296
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0158	0.0182
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Schistosoma mansoni	hypothetical protein	0.0715	0.8663	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0159	0.1519
Schistosoma mansoni	glutaminase	0.0326	0.3797	0.4382
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0038	0.0185	0.0487
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0024	0.0006	0.0007
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0159	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0185	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0563	0.1008
Echinococcus multilocularis	peregrin	0.0068	0.0563	0.0563
Brugia malayi	Matrixin family protein	0.0053	0.0371	0.0977
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0037	0.0177	0.0214
Entamoeba histolytica	hypothetical protein	0.0036	0.0159	0.1519
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0264	0.0694
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0264	0.2202
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0037	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0148	0.157	0.2814
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0158	0.0283
Echinococcus granulosus	JmjC domain containing protein 4	0.0037	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0371	0.0665
Trypanosoma brucei	protein kinase, putative	0.0054	0.0383	0.3196
Schistosoma mansoni	kinesin eg-5	0.0107	0.1048	0.121
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0158	0.0158
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Plasmodium falciparum	GAF domain-related protein, putative	0.0038	0.0185	0.0093
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.2761	0.4949
Loa Loa (eye worm)	jmjC domain-containing protein	0.0139	0.1456	0.2609
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0383	0.1008
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0139	0.1456	0.168
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.1197	0.3152
Brugia malayi	Pre-SET motif family protein	0.0248	0.2822	0.7432
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0185	0.0487
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0383	0.0383
Onchocerca volvulus	Matrilysin homolog	0.0053	0.0371	0.0689
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0141	0.0141
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0119	0.1197	0.3152
Schistosoma mansoni	hypothetical protein	0.0068	0.0563	0.0649
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0119	0.1197	0.1381
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0119	0.1197	1
Loa Loa (eye worm)	hypothetical protein	0.0468	0.558	1
Schistosoma mansoni	protein phosphatase 2C	0.0037	0.0177	0.0204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0383	0.0442
Plasmodium vivax	JmjC domain containing protein	0.0037	0.0177	0.0214
Echinococcus multilocularis	jumonji domain containing protein	0.0095	0.0896	0.0896
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0158	0.0158
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.014	0.1464	0.1464
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0037	0.0177	0.1476
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0037	0.0177	0.0204
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0264	0.1189
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0105	0.103	0.103
Leishmania major	hypothetical protein, conserved	0.0037	0.0177	0.1476
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0052	0.0367	0.0424
Brugia malayi	Muscleblind-like protein	0.0148	0.157	0.4135
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0064	0.0515	0.1356
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0054	0.0383	0.3196
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0264	0.0304
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0159	0.0159
Plasmodium vivax	kinesin-5	0.0107	0.1048	1
Brugia malayi	jmjC domain containing protein	0.0139	0.1456	0.3834
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0279	0.3213	0.3213
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0383	0.0383
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.0264	0.0694
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0383	0.0383
Schistosoma mansoni	hypothetical protein	0.0075	0.0646	0.0746
Brugia malayi	hypothetical protein	0.0036	0.0159	0.0419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0383	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0148	0.157	0.2814
Schistosoma mansoni	jumonji domain containing protein	0.0037	0.0177	0.0204
Echinococcus granulosus	lysine specific demethylase 6a	0.0037	0.0177	0.0177
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0119	0.1197	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Loa Loa (eye worm)	glutaminase	0.0326	0.3797	0.6805
Toxoplasma gondii	GAF domain-containing protein	0.0038	0.0185	0.0304
Brugia malayi	hypothetical protein	0.0039	0.0197	0.0519
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0279	0.3213	0.3213
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0037	0.0177	0.1476
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0052	0.0367	0.0367
Echinococcus multilocularis	jumonji domain containing 1A	0.0037	0.0177	0.0177
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.0383	0.0442
Plasmodium falciparum	kinesin-5	0.0107	0.1048	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0081	0.0724	0.6047
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Echinococcus granulosus	lysine specific demethylase 5A	0.0139	0.1456	0.1456
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0158	0.0182
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.0383	0.3196
Echinococcus multilocularis	mitogen activated protein kinase	0.0054	0.0383	0.0383
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0191	0.2109	0.2109
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0117	0.1174	0.3285
Toxoplasma gondii	hypothetical protein	0.0038	0.0185	0.0304
Loa Loa (eye worm)	inositol-1	0.0044	0.0264	0.0472
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0068	0.0563	0.0563
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0081	0.0724	0.1906
Echinococcus multilocularis	phd:f box containing protein	0.0037	0.0177	0.0177
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0105	0.103	0.2714
Loa Loa (eye worm)	matrixin family protein	0.0117	0.1174	0.2104
Toxoplasma gondii	kinesin motor domain-containing protein	0.0107	0.1048	1
Giardia lamblia	Kinesin-5	0.0107	0.1048	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0177	0.0317
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0119	0.1197	0.3152
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0185	0.0487
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0064	0.0515	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0119	0.1197	0.3152
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0383	0.0442
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0039	0.0206	0.0635
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.0383	0.0686
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0052	0.0367	0.0968
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0177	0.0317
Brugia malayi	Pre-SET motif family protein	0.0036	0.0158	0.0415

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.7 uM	Inhibition of LPS-stimulated TNF-alpha release in human whole blood	ChEMBL.	11472217
IC50 (functional)	= 3.7 uM	Inhibition of LPS-stimulated TNF-alpha release in human whole blood	ChEMBL.	11472217
Ki (binding)	< 1 nM	Invitro inhibition of human MMP-1.	ChEMBL.	11472217
Ki (binding)	< 1 nM	Invitro inhibition of human MMP-1.	ChEMBL.	11472217
Ki (binding)	= 2.88 nM	Inhibition of human MMP-3.	ChEMBL.	11472217
Ki (binding)	= 2.88 nM	Inhibition of human MMP-3.	ChEMBL.	11472217

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: CHEMBL88718
PubChem: 11059553

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 146639