TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.56 | Formula: C23H20N4O3S2
H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1csc(c1)Cc1n[nH]c(=O)c2c1cccc2)N1CCN(CC1)C(=O)c1cccs1
InChi: 1S/C23H20N4O3S2/c28-21-18-5-2-1-4-17(18)19(24-25-21)13-16-12-15(14-32-16)22(29)26-7-9-27(10-8-26)23(30)20-6-3-11-31-20/h1-6,11-12,14H,7-10,13H2,(H,25,28)
InChiKey: QLYSARPMVZIZST-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	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
Echinococcus multilocularis	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
Entamoeba histolytica	hypothetical protein	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
Trypanosoma brucei gambiense	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 granulosus	poly adp ribose polymerase 2	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
Echinococcus granulosus	poly ADP ribose polymerase 1	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
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	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	Poly [ADP-ribose] polymerase 1, 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
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic 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
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	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, putative	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
Echinococcus multilocularis	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
Schistosoma japonicum	ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative	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
Entamoeba histolytica	poly(ADP-ribose) polymerase, 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
Neospora caninum	hypothetical 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
Schistosoma mansoni	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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0111	0.1057	0.6095
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0016	0.0071	0.0288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0033	0.0254	0.0893
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0071	0.0288
Schistosoma mansoni	zinc finger protein	0.0016	0.0071	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.0315
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0033	0.0254	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0142	0.0498
Echinococcus granulosus	BC026374 protein S09 family	0.0111	0.1057	0.4374
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0187	0.0769
Brugia malayi	hypothetical protein	0.0018	0.009	0.0319
Echinococcus granulosus	para nitrobenzyl esterase	0.0111	0.1057	0.4374
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Schistosoma mansoni	ap endonuclease	0.0019	0.0106	0.0395
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0254	0.128
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0111	0.1057	0.6095
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0016	0.0071	0.025
Onchocerca volvulus		0.0111	0.1057	1
Trichomonas vaginalis	receptor histidine kinase, putative	0.0027	0.0188	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Trichomonas vaginalis	spcc417.12 protein, putative	0.0111	0.1057	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0106	0.0371
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.0254	0.1048
Loa Loa (eye worm)	carboxylesterase	0.0111	0.1057	0.3727
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Onchocerca volvulus		0.0111	0.1057	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0111	0.1057	0.4374
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0111	0.1057	0.4374
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.0254	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.0315
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.2415	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0033	0.0254	0.0893
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0027	0.0188	0.1449
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0254	0.1048
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0016	0.0071	0.0288
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0106	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.0071	0.0288
Brugia malayi	nuclear receptor RXR	0.0016	0.0071	0.025
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0071	0.0288
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0021	0.0124	0.0018
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.0071	0.0288
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0021	0.0124	0.2161
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0018	0.009	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Schistosoma mansoni	cpg binding protein	0.0029	0.0212	0.1025
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0071	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Schistosoma mansoni	nuclear receptor	0.0016	0.0071	0.0181
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0068	0.0617	0.2173
Brugia malayi	steroid hormone receptor	0.0033	0.0254	0.0896
Brugia malayi	nuclear hormone receptor	0.0033	0.0254	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0282	0.2835	1
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Echinococcus granulosus	carboxylesterase 5A	0.0111	0.1057	0.4374
Schistosoma mansoni	gliotactin	0.0111	0.1057	0.6095
Schistosoma mansoni	coup transcription factor	0.0033	0.0254	0.128
Schistosoma mansoni	BC026374 protein (S09 family)	0.0111	0.1057	0.6095
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0018	0.009	0.0299
Loa Loa (eye worm)	carboxylesterase	0.0111	0.1057	0.3727
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0282	0.2835	1
Echinococcus granulosus	neuroligin	0.0111	0.1057	0.4374
Onchocerca volvulus		0.0049	0.0419	0.3718
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0174	0.1709	1
Onchocerca volvulus		0.0029	0.0212	0.1682
Echinococcus multilocularis	nuclear receptor nhr 48	0.0016	0.0071	0.0288
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0254	0.128
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0016	0.0071	0.0245
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0033	0.0254	0.0893
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0016	0.0071	0.0288
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.2415	1
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0021	0.0124	0.0058
Brugia malayi	ecdysone receptor	0.0016	0.0071	0.025
Onchocerca volvulus		0.0016	0.0071	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0242	0.2415	0.8519
Loa Loa (eye worm)	hypothetical protein	0.0282	0.2835	1
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0282	0.2835	1
Echinococcus multilocularis	neuroligin	0.0111	0.1057	0.4374
Loa Loa (eye worm)	DR-78	0.0016	0.0071	0.0245
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0484	0.2258
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.004	0.032	0.1322
Onchocerca volvulus	Protein ultraspiracle homolog	0.0033	0.0254	0.2101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0033	0.0254	0.0893
Schistosoma mansoni	ap endonuclease	0.0019	0.0106	0.0395
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0254	0.128
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0095	0.0897	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0016	0.0071	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Onchocerca volvulus	DNA ligase 3 homolog	0.0023	0.0142	0.1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0254	0.0896
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0021	0.0124	0.0018
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0419	0.1476
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0111	0.1057	0.0997
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0106	0.5
Brugia malayi	hypothetical protein	0.0111	0.1057	0.3729
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0082	0.0763	0.4332
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0254	0.0896
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0254	0.128
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0033	0.0254	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0021	0.0124	0.0018
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.0254	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.0315
Schistosoma mansoni	hypothetical protein	0.0049	0.0419	0.2266
Echinococcus granulosus	poly adp ribose polymerase 2	0.0095	0.0897	0.371
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0111	0.1057	0.4374
Schistosoma mansoni	nuclear receptor nhr-48	0.0016	0.0071	0.0181
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0111	0.1057	0.6095
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0071	0.0181
Brugia malayi	nuclear hormone receptor family member odr-7	0.0016	0.0071	0.025
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.0254	0.0896
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0254	0.1048
Brugia malayi	nuclear receptor RXR	0.0018	0.009	0.0319
Onchocerca volvulus		0.0111	0.1057	1
Trypanosoma cruzi	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0023	0.0142	0.0452
Brugia malayi	hypothetical protein	0.0018	0.009	0.0319
Brugia malayi	WGR domain containing protein	0.0174	0.1709	0.6027
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0021	0.0124	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0106	0.0648
Brugia malayi	hypothetical protein	0.0242	0.2415	0.852
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0033	0.0254	0.0893
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0553	0.3073
Onchocerca volvulus	Bile acid receptor homolog	0.0033	0.0254	0.2101
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.0254	0.0896
Brugia malayi	orphan nuclear receptor NR2E1	0.0016	0.0071	0.025
Onchocerca volvulus		0.0016	0.0071	0.0297
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0111	0.1057	0.6095
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0071	0.0181
Trypanosoma cruzi	DNA repair protein, putative	0.0023	0.0142	0.0452
Brugia malayi	ecdysteroid receptor	0.0033	0.0254	0.0896
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0095	0.0897	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.0254	0.0896
Echinococcus granulosus	acetylcholinesterase	0.0111	0.1057	0.4374
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0254	0.1048
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0021	0.0124	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0254	0.128
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0174	0.1709	0.7073
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0254	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0033	0.0254	0.1048
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0021	0.0124	0.0058
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.009	0.0319
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0254	0.128
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Brugia malayi	WGR domain containing protein	0.0095	0.0897	0.3163
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.009	0.0319
Brugia malayi	hypothetical protein	0.0016	0.0071	0.025
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0033	0.0254	0.0893
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0254	0.128
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0095	0.0897	0.5133
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0021	0.0124	0.0058
Echinococcus multilocularis	tankyrase	0.0013	0.0041	0.0163
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0111	0.1057	0.6095
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.0254	0.1048
Echinococcus granulosus	WGR domain containing protein	0.0054	0.0467	0.1928
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0033	0.0254	0.1048
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0018	0.009	0.0299
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0018	0.009	0.0369
Brugia malayi	nuclear receptor NHR-67	0.0016	0.0071	0.025
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Echinococcus granulosus	nuclear receptor nhr 48	0.0016	0.0071	0.0288
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.0254	0.0896
Mycobacterium ulcerans	carboxylesterase, LipT	0.0972	1	1
Loa Loa (eye worm)	carboxylesterase	0.0111	0.1057	0.3727
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0111	0.1057	1
Echinococcus multilocularis	acetylcholinesterase	0.0111	0.1057	0.4374
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0106	0.0375
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0254	0.0896
Brugia malayi	tailless protein	0.0016	0.0071	0.025
Brugia malayi	nuclear receptor NHR-88	0.0016	0.0071	0.025
Trichomonas vaginalis	receptor histidine kinase, putative	0.0027	0.0188	0.1449
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.0254	0.0896
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0254	0.128
Trypanosoma brucei	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0023	0.0142	0.0452
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0106	0.0436
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0021	0.0124	0.0058
Brugia malayi	conserved hypotetical protein	0.0016	0.0071	0.025
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.0254	0.1048
Echinococcus multilocularis	carboxylesterase 5A	0.0111	0.1057	0.4374
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0106	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0229	0.1129
Schistosoma mansoni	cpg binding protein	0.0031	0.0229	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Mycobacterium ulcerans	two component sensor kinase MprB	0.0021	0.0124	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1278	0.4507
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0254	0.0896
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0021	0.0124	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0018	0.009	0.0369
Brugia malayi	follicle stimulating hormone receptor	0.0237	0.2364	0.8338
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.0254	0.0896
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0016	0.0071	0.025
Loa Loa (eye worm)	acetylcholinesterase 1	0.0111	0.1057	0.3727
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.0254	0.1048
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0016	0.0071	0.0181
Brugia malayi	Carboxylesterase family protein	0.0111	0.1057	0.3729
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0027	0.0188	0.1449
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0419	0.2266
Leishmania major	hypothetical protein, conserved	0.0023	0.0142	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0254	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0106	0.004
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0016	0.0071	0.0245
Brugia malayi	hypothetical protein	0.0016	0.0071	0.025
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0033	0.0254	0.1048
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0254	0.0896
Echinococcus multilocularis	FTZ F1 alpha	0.0033	0.0254	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0106	0.0436
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0212	0.0742
Onchocerca volvulus		0.0111	0.1057	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0071	0.0297
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0027	0.0188	0.1449
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0021	0.0124	0.0018
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.018	0.1779	1
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0174	0.1709	0.7073
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.0254	0.1048
Echinococcus granulosus	tankyrase	0.0013	0.0041	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.0254	0.1048
Schistosoma mansoni	acetylcholinesterase	0.0111	0.1057	0.6095
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Trichomonas vaginalis	sensor histidine kinase, putative	0.0027	0.0188	0.1449
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0021	0.0124	0.0018
Leishmania major	DNA repair protein, putative	0.0023	0.0142	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0016	0.0071	0.0245
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0111	0.1057	0.0997
Schistosoma mansoni	nuclear receptor	0.0016	0.0071	0.0181
Loa Loa (eye worm)	tnks protein	0.0013	0.0041	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0021	0.0124	0.0018
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0254	0.128
Brugia malayi	Tnks protein	0.0013	0.0041	0.0143
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0212	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Echinococcus multilocularis	ecdysone induced protein 78C	0.0033	0.0254	0.1048
Echinococcus granulosus	acetylcholinesterase	0.0111	0.1057	0.4374
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0237	0.2364	0.8337
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.0254	0.0896
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0071	0.0288
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0071	0.025
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0254	0.128
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Trypanosoma brucei	DNA repair protein, putative	0.0023	0.0142	0.0452
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0027	0.0188	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0021	0.0124	0.0058
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.0254	0.0896
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0174	0.1709	1
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0187	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0245
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0111	0.1057	0.4374
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0021	0.0124	0.5
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0021	0.0124	0.0058
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0254	0.128
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0106	0.0395
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0054	0.0467	0.1928
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0106	0.0648
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0254	0.0896
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0033	0.0254	0.2101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.0315
Onchocerca volvulus		0.0033	0.0254	0.2101
Brugia malayi	nuclear hormone receptor	0.0016	0.0071	0.025
Echinococcus granulosus	cpg binding protein	0.0031	0.0229	0.0943
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0254	0.128
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0095	0.0897	1
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0021	0.0124	0.0018
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0106	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0897	0.316
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0071	0.0288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0033	0.0254	0.0893
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0254	0.0896
Echinococcus multilocularis	cpg binding protein	0.0031	0.0229	0.0943
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0071	0.025
Entamoeba histolytica	hypothetical protein	0.0027	0.0187	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0893
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0027	0.0188	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1057	0.3727
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0021	0.0124	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0033	0.0254	0.0893
Echinococcus multilocularis	acetylcholinesterase	0.0111	0.1057	0.4374
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0016	0.0071	0.0181
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0027	0.0187	0.0769
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0095	0.0897	0.371
Onchocerca volvulus		0.0111	0.1057	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10.84 nM	Inhibition of human PARP1	ChEMBL.	25086680
Inhibition (binding)	= 99.13 %	Inhibition of human PARP1 at 1 umol	ChEMBL.	25086680

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: CHEMBL3317913

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 921176