TDR Targets

Basic information

Technical information

TDR Targets ID: 207926
Name: Paullone Analogue 61
MW: 283.712 | Formula: C15H10ClN3O
H donors: 2 H acceptors: 2 LogP: 2.45 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ncccc2c2c(C1)c1cc(Cl)ccc1[nH]2
InChi: 1S/C15H10ClN3O/c16-8-3-4-12-10(6-8)11-7-13(20)19-15-9(14(11)18-12)2-1-5-17-15/h1-6,18H,7H2,(H,17,19,20)
InChiKey: KXMXGXBHRANLDJ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	blistered cuticle protein 3	0.0076	0.2963	0.2963
Echinococcus multilocularis	peroxidasin	0.0076	0.2963	0.2959
Echinococcus granulosus	lamin	0.0026	0.0645	0.064
Loa Loa (eye worm)	hypothetical protein	0.0228	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.05	0.0638
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.05	0.0356
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0645	0.0645
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.2963	0.2901
Echinococcus multilocularis	lamin	0.0026	0.0645	0.064
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.05	0.0356
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.05	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.05	0.0417
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0645	0.0645
Onchocerca volvulus		0.0076	0.2963	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.05	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1595	0.1803
Mycobacterium ulcerans	isopentenyl pyrophosphate isomerase	0.0064	0.2418	0.2909
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.1344	0.1339
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.05	0.0356
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.05	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0023	0.05	0.05
Echinococcus granulosus	intermediate filament protein	0.0026	0.0645	0.064
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0086	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0645	0.0645
Onchocerca volvulus		0.0076	0.2963	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0623	0.0623
Echinococcus multilocularis	flap endonuclease 1	0.0033	0.0948	0.0943
Echinococcus granulosus	peroxidasin	0.0076	0.2963	0.2959
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.1344	1
Onchocerca volvulus		0.0035	0.1049	0.3528
Schistosoma mansoni	aryl hydrocarbon receptor	0.0047	0.1613	0.1838
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.1344	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.05	0.0356
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	1	1
Onchocerca volvulus		0.0026	0.0645	0.2163
Plasmodium vivax	flap endonuclease 1, putative	0.0033	0.0948	0.6435
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.2963	0.2901
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.5731	0.5729
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.05	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0232	0.0232
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.05	0.0411
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.05	0.2049
Leishmania major	isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative	0.0064	0.2418	1
Onchocerca volvulus		0.0023	0.05	0.1671
Schistosoma mansoni	hypothetical protein	0.0047	0.1595	0.1803
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1186	0.3577
Plasmodium vivax	DNA repair protein RAD2, putative	0.0038	0.1175	0.8478
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1186	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Onchocerca volvulus	Peroxidase homolog	0.0076	0.2963	1
Treponema pallidum	hypothetical protein	0.018	0.7746	0.5
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Onchocerca volvulus	Chorion peroxidase homolog	0.0076	0.2963	1
Loa Loa (eye worm)	acetyltransferase	0.014	0.5913	0.5913
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.05	0.0411
Echinococcus multilocularis	lamin dm0	0.0026	0.0645	0.064
Onchocerca volvulus	Peroxidasin homolog	0.0076	0.2963	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0022	0.0017
Loa Loa (eye worm)	flap endonuclease-1	0.0033	0.0948	0.0948
Brugia malayi	intermediate filament protein	0.0026	0.0645	0.0564
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0033	0.0948	0.3906
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.1344	1
Mycobacterium tuberculosis	Possible L-lactate dehydrogenase (cytochrome) LldD2	0.018	0.7746	1
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0038	0.1175	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0232	0.0232
Brugia malayi	Blistered cuticle protein 3	0.0076	0.2963	0.2901
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.2963	0.2901
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0022	0.0017
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.5913	1
Echinococcus multilocularis	musashi	0.0026	0.0645	0.064
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1175	0.1175
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Brugia malayi	hypoxia-induced factor 1	0.0145	0.6164	0.6131
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Brugia malayi	Peroxidasin	0.0076	0.2963	0.2901
Entamoeba histolytica	isopentenyl-diphosphate delta-isomerase, putative	0.0064	0.2418	1
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0012	0.0005	0.0005
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0038	0.1175	0.5731
Brugia malayi	XPG N-terminal domain containing protein	0.0032	0.0906	0.0828
Plasmodium falciparum	flap endonuclease 1	0.0033	0.0948	0.7505
Onchocerca volvulus	Dual oxidase homolog	0.0076	0.2963	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0232	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Mycobacterium ulcerans	hypothetical protein	0.0023	0.05	0.0356
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1186	1
Onchocerca volvulus		0.0047	0.1595	0.5374
Echinococcus multilocularis	transfer RNA-Lys	0.0035	0.1049	0.1044
Echinococcus granulosus	lamin dm0	0.0026	0.0645	0.064
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0023	0.05	0.05
Echinococcus multilocularis	DNA repair protein complementing XP G cells	0.0038	0.1175	0.117
Entamoeba histolytica	Flap nuclease, putative	0.0033	0.0948	0.2337
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.05	0.0638
Schistosoma mansoni	flap endonuclease-1	0.0027	0.0707	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0232	0.0232
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.2963	0.2901
Echinococcus granulosus	flap endonuclease 1	0.0033	0.0948	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0158	0.6729	0.6729
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.05	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0005
Onchocerca volvulus		0.0076	0.2963	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0145	0.6164	0.6164
Mycobacterium leprae	POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2	0.018	0.7746	1
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.2963	0.2963
Mycobacterium ulcerans	putative regulatory protein	0.0035	0.1049	0.1087
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0033	0.0948	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Schistosoma mansoni	single-minded	0.0047	0.1613	0.1838
Brugia malayi	Flap endonuclease-1	0.0033	0.0948	0.0869
Trichomonas vaginalis	flap endonuclease-1, putative	0.0038	0.1175	0.8736
Echinococcus granulosus	DNA repair protein complementing XP G cells	0.0038	0.1175	0.117
Brugia malayi	PAS domain containing protein	0.0047	0.1613	0.154
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.2963	0.2963
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.1344	1
Brugia malayi	hypothetical protein	0.0158	0.6729	0.67
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Trypanosoma brucei	isopentenyl-diphosphate delta-isomerase (type II)	0.0064	0.2418	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.1344	1
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.5913	0.5877
Loa Loa (eye worm)	hypothetical protein	0.0023	0.05	0.05
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.2963	0.2963
Plasmodium falciparum	DNA repair protein RAD2, putative	0.0038	0.1175	0.9888
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.05	0.2049
Onchocerca volvulus		0.0026	0.0645	0.2163
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0645	0.0564
Onchocerca volvulus	Peroxidase homolog	0.0076	0.2963	1
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.2963	0.2901
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Schistosoma mansoni	peroxidasin	0.0076	0.2963	0.4399
Brugia malayi	bHLH-PAS transcription factor	0.0035	0.1049	0.0971
Entamoeba histolytica	DNA-repair protein, putative	0.0038	0.1175	0.3521
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.2963	0.2963
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.5913	0.5911
Trichomonas vaginalis	flap endonuclease-1, putative	0.0033	0.0948	0.7039
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.05	0.0356
Schistosoma mansoni	peroxidasin	0.0076	0.2963	0.4399
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1595	0.1522
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0232	0.0232
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0232	1
Echinococcus granulosus	single minded 2	0.0035	0.1049	0.1044
Onchocerca volvulus	Peroxidasin homolog	0.0076	0.2963	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD1	0.0064	0.2418	0.2909
Echinococcus granulosus	survival motor neuron protein 1	0.0228	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2963	0.2963
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD2	0.018	0.7746	1
Brugia malayi	hypothetical protein	0.0076	0.2963	0.2901

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.301	Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells	ChEMBL.	14695817
IC50 (binding)	= 4.377	Inhibitory activity against cyclin-dependent kinase 5/p25	ChEMBL.	14695817
IC50 (binding)	= 4.638	Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes	ChEMBL.	14695817
Log IC50 (binding)	= 3.301	Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells	ChEMBL.	14695817
Log IC50 (binding)	= 4.377	Inhibitory activity against cyclin-dependent kinase 5/p25	ChEMBL.	14695817
Log IC50 (binding)	= 4.638	Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes	ChEMBL.	14695817

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: CHEMBL331722
PubChem: 6538750

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 207926