TDR Targets

Basic information

Technical information

TDR Targets ID: 1036738
Name: N-(6-oxo-5H-pyrido[5,6-c]isoquinolin-1-ium-2- yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide chloride
MW: 415.916 | Formula: C21H26ClN5O2
H donors: 2 H acceptors: 4 LogP: 3.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc2c(n1)c1ccccc1c(n2)O)CN1CCN(CC1)C(C)C.Cl
InChi: 1S/C21H25N5O2.ClH/c1-14(2)26-11-9-25(10-12-26)13-19(27)23-18-8-7-17-20(24-18)15-5-3-4-6-16(15)21(28)22-17;/h3-8,14H,9-13H2,1-2H3,(H,22,28)(H,23,24,27);1H
InChiKey: HFYVNWPCVJYZHG-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

2-(4-isopropylpiperazin-1-yl)-N-(6-oxo-5H-pyrido[5,6-c]isoquinolin-1-ium-2-yl)acetamide chloride
2-(4-isopropyl-1-piperazinyl)-N-(6-oxo-5H-pyrido[5,6-c]isoquinolin-1-ium-2-yl)acetamide chloride
2-(4-isopropylpiperazin-1-yl)-N-(6-keto-5H-pyrido[5,6-c]isoquinolin-1-ium-2-yl)acetamide chloride
N-(6-oxo-5H-pyrido[5,6-c]isoquinolin-1-ium-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamide chloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	poly (ADP-ribose) polymerase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma mansoni	poly [ADP-ribose] polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Neospora caninum	hypothetical protein	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma mansoni	poly [ADP-ribose] polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	poly (ADP ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	Get druggable targets OG5_128423	All targets in OG5_128423
Trypanosoma brucei	poly(adp-ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Trypanosoma congolense	poly(ADP-ribose) polymerase, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	Poly [ADP-ribose] polymerase 1, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	poly ADP ribose polymerase 1	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma mansoni	poly [ADP-ribose] polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	Poly [ADP-ribose] polymerase 1, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	Poly [ADP-ribose] polymerase 2, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Brugia malayi	WGR domain containing protein	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus multilocularis	poly (adp ribose) polymerase 2	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	Poly [ADP-ribose] polymerase 2, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Schistosoma japonicum	Poly [ADP-ribose] polymerase 2-A, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	poly adp ribose polymerase 2	Get druggable targets OG5_128423	All targets in OG5_128423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128423	All targets in OG5_128423
Trypanosoma brucei gambiense	poly(ADP-ribose) polymerase, putative	Get druggable targets OG5_128423	All targets in OG5_128423
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus multilocularis	poly (ADP ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	poly (ADP ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423
Brugia malayi	WGR domain containing protein	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	WGR domain containing protein	Get druggable targets OG5_128423	All targets in OG5_128423
Echinococcus granulosus	poly (ADP ribose) polymerase	Get druggable targets OG5_128423	All targets in OG5_128423

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 ulcerans	putative regulatory protein	0.0316	0.133	0.2647
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0116	0.057
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.3649
Trypanosoma cruzi	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0023	0.0053	0.0041
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0437	0.1861	0.1852
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0044	0.0073
Toxoplasma gondii	GAF domain-containing protein	0.0316	0.133	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0437	0.1861	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0137	0.0127
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	conserved hypothetical protein	0.0316	0.133	0.2421
Schistosoma mansoni	ap endonuclease	0.0019	0.0039	0.0028
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.1264	0.5461	1
Brugia malayi	Cytochrome P450 family protein	0.0026	0.007	0.0059
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.0044	0.0178
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0015
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0063
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0122	0.0485	0.0871
Toxoplasma gondii	hypothetical protein	0.0316	0.133	1
Mycobacterium leprae	conserved hypothetical protein	0.0316	0.133	1
Mycobacterium ulcerans	putative regulatory protein	0.0316	0.133	0.2647
Entamoeba histolytica	hypothetical protein	0.0037	0.0116	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.005
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0044	0.006
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0485	0.0475
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0061	0.0859
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0108	0.0097
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0039	0.0153
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Leishmania major	hypothetical protein, conserved	0.0122	0.0485	0.127
Loa Loa (eye worm)	hypothetical protein	0.0095	0.037	0.036
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0025	0.0041
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0122	0.0485	0.1324
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.1264	0.5461	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0437	0.1861	0.5183
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0437	0.1861	0.5183
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0072	0.0332
Entamoeba histolytica	hypothetical protein	0.0013	0.0011	0.0151
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0122	0.0485	0.3482
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0025	0.0041
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0437	0.1861	0.5183
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0437	0.1861	0.5183
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	conserved hypothetical protein	0.1264	0.5461	1
Trichomonas vaginalis	conserved hypothetical protein	0.0316	0.133	0.2421
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.1264	0.5461	1
Trypanosoma brucei	DNA repair protein, putative	0.0023	0.0053	0.0041
Loa Loa (eye worm)	hypothetical protein	0.2305	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0055
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.1142	0.493	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0023
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0044	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0144	0.0245
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0122	0.0485	0.1324
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.005
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0948	0.4085	0.7476
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0061	0.0859
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0039	0.055
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0033
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0826	0.3555	0.7193
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0023
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.007	0.0088
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0068	0.0253	0.0242
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0061	0.0055
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0178	0.0168
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0063
Trypanosoma cruzi	DNA repair protein, putative	0.0023	0.0053	0.0041
Echinococcus granulosus	bloom syndrome protein	0.002	0.0044	0.0178
Leishmania major	hypothetical protein, conserved	0.0023	0.0053	0.0041
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0039	0.0079
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0116	0.0106
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0039	0.001
Trichomonas vaginalis	DNA helicase recq1, putative	0.002	0.0044	0.006
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.3649
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0122	0.0485	0.0871
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.127
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0122	0.0485	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0132	0.053	0.052
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.005
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0437	0.1861	0.5183
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0061	0.0055
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0034	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.007	0.0088
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0122	0.0485	0.127
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0187	0.0176
Loa Loa (eye worm)	PDE1B protein	0.0122	0.0485	0.0475
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.0871
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0039	0.0028
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0122	0.0485	0.127
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0437	0.1861	0.3395
Echinococcus multilocularis	Niemann Pick C1 protein	0.0145	0.0586	0.1606
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0437	0.1861	0.1852
Schistosoma mansoni	hypothetical protein	0.0042	0.0137	0.0127
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0122	0.0485	0.2566
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0122	0.0485	0.2566
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.007	0.0088
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0122	0.0485	0.1324
Entamoeba histolytica	zinc finger protein, putative	0.0013	0.0011	0.0151
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0144	0.0134
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0122	0.0485	0.127
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.005
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.0491	0.048
Schistosoma mansoni	ap endonuclease	0.0019	0.0039	0.0028
Echinococcus granulosus	GPCR family 2	0.0016	0.0025	0.008
Brugia malayi	CHE-14 protein	0.0044	0.0144	0.0134
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0039	0.0052
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.0397	0.5579
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0061	0.0064
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.007	0.0059
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0039	0.0294
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0174	0.0711	0.3784
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0122	0.0485	0.0475
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0122	0.0485	0.1324
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0015
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0122	0.0485	0.127
Plasmodium falciparum	GAF domain-related protein, putative	0.0316	0.133	1
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0095	0.037	0.0942
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0061	0.0055
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0034	0.0257
Trypanosoma brucei	GAF domain/TIP41-like family, putative	0.0826	0.3555	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0122	0.0485	0.127
Schistosoma mansoni	DNA helicase recq1	0.002	0.0044	0.0033
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0082	0.0314	0.0304
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.1142	0.493	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0144	0.0722
Echinococcus multilocularis	protein dispatched 1	0.005	0.0171	0.0447
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0437	0.1861	0.3395
Entamoeba histolytica	hypothetical protein	0.0037	0.0116	0.1634
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0397	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0097
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0122	0.0485	0.0871
Onchocerca volvulus		0.0024	0.0061	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Leishmania major	cytochrome p450-like protein	0.0026	0.007	0.0088
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.007	0.0073
Toxoplasma gondii	exonuclease III APE	0.0019	0.0039	0.0294
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.018	0.0741	0.5567
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0437	0.1861	1
Entamoeba histolytica	hypothetical protein	0.0013	0.0011	0.0151
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.005
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.0044	0.0178
Entamoeba histolytica	hypothetical protein	0.0013	0.0011	0.0151
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0122	0.0485	0.0475
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Brugia malayi	MH2 domain containing protein	0.0123	0.0491	0.048
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0485	0.0475
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0039	0.5
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0044	0.0013
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0072	0.0332
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0316	0.133	0.2654
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.2305	1	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0122	0.0485	0.127
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0055
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0039	0.0028
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Leishmania major	DNA repair protein, putative	0.0023	0.0053	0.0041
Entamoeba histolytica	hypothetical protein	0.0037	0.0116	0.1634
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.0397	0.2086
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0044	0.0033
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0044	0.0033
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.127
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.0316	0.133	0.2421
Schistosoma mansoni	hypothetical protein	0.0042	0.0137	0.0127
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.3649
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0485	0.0475
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.007	0.0059
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.007	0.0059
Echinococcus granulosus	Niemann Pick C1 protein	0.0145	0.0586	0.3111
Loa Loa (eye worm)	hypothetical protein	0.0316	0.133	0.1321
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0178	0.0168
Schistosoma mansoni	hypothetical protein	0.0035	0.0108	0.0097
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.0871
Schistosoma mansoni	DNA helicase recq5	0.002	0.0044	0.0033
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0072	0.0332
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0122	0.0485	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0122	0.0485	0.2566
Giardia lamblia	Hypothetical protein	0.0122	0.0485	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0044	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0023
Echinococcus granulosus	WGR domain containing protein	0.0054	0.019	0.0967
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0174	0.0711	0.1953
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.0044	0.0033
Plasmodium vivax	hypothetical protein, conserved	0.0316	0.133	1
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0122	0.0485	0.2566
Echinococcus granulosus	expressed conserved protein	0.0095	0.037	0.1941
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0122	0.0485	0.2566
Leishmania major	hypothetical protein, conserved	0.0122	0.0485	0.127
Toxoplasma gondii	hypothetical protein	0.0316	0.133	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0061	0.0055
Entamoeba histolytica	hypothetical protein	0.0013	0.0011	0.0151
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0039	0.0052
Trypanosoma brucei	hypothetical protein, conserved	0.0122	0.0485	0.127
Schistosoma mansoni	patched 1	0.0044	0.0144	0.0134
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.0044	0.0033
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0122	0.0485	0.3482
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0122	0.0485	0.0475
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0044	0.0013
Echinococcus multilocularis	bloom syndrome protein	0.002	0.0044	0.0092
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0116	0.0294
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	0.0044	0.0073
Echinococcus multilocularis	expressed conserved protein	0.0095	0.037	0.1002
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0015
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0122	0.0485	0.0475
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0122	0.0485	0.3482
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.004	0.0128	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0025	0.0015
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.0044	0.0092
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0122	0.0485	0.2566
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0178	0.0168
Schistosoma mansoni	hypothetical protein	0.0042	0.0137	0.0127
Brugia malayi	WGR domain containing protein	0.0095	0.037	0.036
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0025	0.0015
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Onchocerca volvulus	DNA ligase 3 homolog	0.0023	0.0053	0.8472
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0034	0.0009
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0948	0.4085	0.7476
Brugia malayi	Cytochrome P450 family protein	0.0026	0.007	0.0059
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0144	0.0722
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0095	0.037	0.036
Giardia lamblia	hypothetical protein	0.0122	0.0485	1
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0122	0.0485	0.127
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.005
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0061	0.0055
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0835	0.3595	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.0871
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	0.0044	0.0102
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0122	0.0485	0.0475
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.3482
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0025	0.0041
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.0044	0.0092
Trichomonas vaginalis	conserved hypothetical protein	0.0122	0.0485	0.0871
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.0397	0.0386
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0039	0.0019
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0826	0.3555	1
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0095	0.037	0.0942
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0437	0.1861	0.5162
Plasmodium vivax	phosphodiesterase gamma, putative	0.0122	0.0485	0.3649
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.0871
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0039	0.5
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0437	0.1861	0.3395
Entamoeba histolytica	recQ family helicase, putative	0.002	0.0044	0.0614
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0122	0.0485	0.1324
Leishmania major	hypothetical protein, conserved	0.0826	0.3555	1
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0826	0.3555	1
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0054	0.019	0.0967
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0404	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0023
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0055
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0316	0.133	0.2421
Echinococcus granulosus	poly adp ribose polymerase 2	0.0095	0.037	0.1943
Trichomonas vaginalis	conserved hypothetical protein	0.0122	0.0485	0.0871
Loa Loa (eye worm)	RecQ helicase	0.002	0.0044	0.0033
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0061	0.0859
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0044	0.0328
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0044	0.006
Toxoplasma gondii	hypothetical protein	0.0316	0.133	1
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0095	0.037	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0144	0.0134
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.0397	0.1077
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0025	0.008
Trypanosoma brucei	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0023	0.0053	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0023
Plasmodium falciparum	phosphodiesterase delta, putative	0.0122	0.0485	0.3482
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0122	0.0485	0.127
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0122	0.0485	0.0871
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0174	0.0711	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0063
Brugia malayi	hypothetical protein	0.0037	0.0116	0.0106
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0025	0.0015
Brugia malayi	WGR domain containing protein	0.0174	0.0711	0.0701
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0064
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0122	0.0485	0.0475
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0122	0.0485	0.0871
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0144	0.0373
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0039	0.0038
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0437	0.1861	0.3395
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0122	0.0485	0.127
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0122	0.0485	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0053	0.0043
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0122	0.0485	0.1324
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0025	0.0015
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0122	0.0485	0.3482
Entamoeba histolytica	hypothetical protein	0.0027	0.0072	0.1014
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0025	0.008
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.0491	0.048
Entamoeba histolytica	hypothetical protein	0.0037	0.0116	0.1634
Schistosoma mansoni	hypothetical protein	0.0037	0.0116	0.0106
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0485	0.127
Echinococcus multilocularis	protein patched	0.0044	0.0144	0.0373
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0437	0.1861	0.5162
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0178	0.0168
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0095	0.037	0.0942
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0174	0.0711	0.0701
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.0485	0.3649
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0122	0.0485	0.0475

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 277 nM	Inhibitory activity against Poly (ADP-ribose) polymerase 1	ChEMBL.	12825952

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: CHEMBL543393

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1036738