TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 212.636 | Formula: C8H9ClN4O
H donors: 3 H acceptors: 2 LogP: 0.96 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)Nc1ccc2c(c1)[nH]nc2.Cl
InChi: 1S/C8H8N4O.ClH/c9-8(13)11-6-2-1-5-4-10-12-7(5)3-6;/h1-4H,(H,10,12)(H3,9,11,13);1H
InChiKey: KDBWDGBHBMITSF-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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0653	0.0755
Brugia malayi	TAR-binding protein	0.0191	0.3718	0.7461
Schistosoma mansoni	hypothetical protein	0.0304	0.6093	0.7313
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.3718	0.445
Entamoeba histolytica	Ran family GTPase	0.0021	0.0166	0.4944
Brugia malayi	RNA binding protein	0.0191	0.3718	0.7461
Schistosoma mansoni	hypothetical protein	0.041	0.8323	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0653	0.0755
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0653	0.0755
Mycobacterium tuberculosis	Probable lipase LipD	0.0077	0.1335	0.1228
Schistosoma mansoni	hypothetical protein	0.0079	0.138	0.1631
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.2275	0.3628
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0077	0.1335	0.2553
Echinococcus multilocularis	GPCR, family 2	0.0079	0.138	0.1631
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0249	0.4951	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0079	0.138	0.1631
Toxoplasma gondii	hypothetical protein	0.005	0.0771	0.3435
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0122	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0787	0.1147
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0077	0.1335	0.1228
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0191	0.3718	0.6037
Mycobacterium ulcerans	hypothetical protein	0.0077	0.1335	0.4022
Schistosoma mansoni	importin beta-1	0.0028	0.0323	0.0358
Plasmodium vivax	hypothetical protein, conserved	0.0077	0.1335	1
Plasmodium falciparum	importin beta, putative	0.0028	0.0323	1
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.3718	0.445
Mycobacterium ulcerans	beta-lactamase	0.0077	0.1335	0.4022
Echinococcus multilocularis	cpg binding protein	0.0061	0.1001	0.1175
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Echinococcus granulosus	beta LACTamase domain containing family member	0.0077	0.1335	0.1577
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0077	0.1335	0.206
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0166	0.036
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.6201	1
Leishmania major	GTP-binding protein, putative	0.0021	0.0166	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0249	0.4951	0.8094
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0166	0.0072
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.6201	1
Schistosoma mansoni	hypothetical protein	0.0079	0.138	0.1631
Mycobacterium tuberculosis	Probable lipase LipE	0.0077	0.1335	0.1228
Echinococcus multilocularis	dnaJ subfamily B	0.041	0.8323	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0653	0.0922
Entamoeba histolytica	hypothetical protein	0.0023	0.021	1
Brugia malayi	RNA recognition motif domain containing protein	0.0191	0.3718	0.7461
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0323	0.1658
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.2791	0.439
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0166	0.011
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.021	0.1576
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0323	0.0358
Schistosoma mansoni	hypothetical protein	0.0079	0.138	0.1631
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0122	0.0055
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1335	1
Mycobacterium tuberculosis	Probable hydrolase	0.0077	0.1335	0.1228
Onchocerca volvulus		0.0058	0.0933	0.266
Echinococcus granulosus	snurportin 1	0.0304	0.6093	0.7313
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0079	0.138	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Mycobacterium leprae	Probable lipase LipE	0.0077	0.1335	0.5
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0323	0.1064
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.3137	0.3052
Schistosoma mansoni	ap endonuclease	0.0019	0.0122	0.0115
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0166	0.2171
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0166	0.0168
Brugia malayi	latrophilin 2 splice variant baaae	0.017	0.3298	0.6596
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.1335	1
Echinococcus multilocularis	tumor protein p63	0.0346	0.6971	0.837
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0836	0.1175
Leishmania major	hypothetical protein, conserved	0.0077	0.1335	0.1995
Echinococcus granulosus	GPCR family 2	0.0079	0.138	0.1631
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0637	0.0847
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0166	0.0168
Brugia malayi	RNA, U transporter 1	0.0081	0.1423	0.2734
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0249	0.4951	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0122	0.0037
Toxoplasma gondii	ABC1 family protein	0.0077	0.1335	0.6418
Brugia malayi	Latrophilin receptor protein 2	0.0079	0.138	0.2646
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.3718	0.445
Mycobacterium tuberculosis	Probable esterase LipL	0.0077	0.1335	0.1228
Echinococcus granulosus	tumor protein p63	0.0346	0.6971	0.837
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.2791	0.439
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.1335	0.1577
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.1335	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.01	0.0089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0653	0.0755
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0166	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.3718	0.445
Loa Loa (eye worm)	RNA binding protein	0.0191	0.3718	0.6037
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0122	0.0115
Echinococcus multilocularis	snurportin 1	0.0304	0.6093	0.7313
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0122	0.0914
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0079	0.138	0.2646
Onchocerca volvulus		0.0077	0.1335	1
Onchocerca volvulus		0.0077	0.1335	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0109	0.2012	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0166	1
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0323	0.0358
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.1335	0.1577
Mycobacterium leprae	conserved hypothetical protein	0.0077	0.1335	0.5
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1335	0.1228
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.6201	1
Trichomonas vaginalis	ran, putative	0.0021	0.0166	0.1241
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0637	0.0847
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.021	0.1576
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0079	0.138	0.1631
Schistosoma mansoni	ran	0.0021	0.0166	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0122	0.5
Onchocerca volvulus		0.0077	0.1335	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.021	0.0145
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.021	0.0145
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0077	0.1335	0.1228
Loa Loa (eye worm)	hypothetical protein	0.017	0.3298	0.5336
Loa Loa (eye worm)	TAR-binding protein	0.0191	0.3718	0.6037
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1335	0.1228
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0323	0.0331
Brugia malayi	beta-lactamase	0.0077	0.1335	0.2553
Brugia malayi	MH2 domain containing protein	0.0122	0.2275	0.4488
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0079	0.138	0.1631
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0653	0.0755
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.1335	0.1995
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0077	0.1335	0.1577
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0637	0.0847
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0653	0.1148
Loa Loa (eye worm)	beta-lactamase	0.0077	0.1335	0.206
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1335	0.1228
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1335	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.138	0.2135
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0249	0.4951	0.8094
Trichomonas vaginalis	esterase, putative	0.0077	0.1335	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0077	0.1335	0.4022
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0077	0.1335	0.1228
Schistosoma mansoni	cpg binding protein	0.0058	0.0933	0.1092
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0079	0.138	0.2135
Mycobacterium ulcerans	lipase LipD	0.0077	0.1335	0.4022
Schistosoma mansoni	ap endonuclease	0.0019	0.0122	0.0115
Echinococcus granulosus	tar DNA binding protein	0.0191	0.3718	0.445
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.2275	0.3628
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0323	0.0331
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0637	0.0847
Schistosoma mansoni	ran	0.0021	0.0166	0.0168
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.2791	0.439
Brugia malayi	CXXC zinc finger family protein	0.0058	0.0933	0.1725
Echinococcus granulosus	dnaJ subfamily B	0.041	0.8323	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.6093	1
Echinococcus multilocularis	tar DNA binding protein	0.0191	0.3718	0.445
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0122	0.2285	0.2722
Trypanosoma brucei	hypothetical protein, conserved	0.0077	0.1335	0.1995
Mycobacterium ulcerans	hypothetical protein	0.0163	0.3137	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0323	0.0373
Echinococcus granulosus	cpg binding protein	0.0061	0.1001	0.1175
Brugia malayi	beta-lactamase family protein	0.0077	0.1335	0.2553
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0787	0.0917
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0166	0.0231
Schistosoma mansoni	cpg binding protein	0.0061	0.1001	0.1175
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.1335	0.1995
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0653	0.0755
Schistosoma mansoni	hypothetical protein	0.0079	0.138	0.1631
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0166	0.0072
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0122	0.0914
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0058	0.0933	0.139
Schistosoma mansoni	cpg binding protein	0.0061	0.1001	0.1175
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0166	0.0072
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.01	0.0089
Brugia malayi	Importin beta-1 subunit	0.0028	0.0323	0.047
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1335	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0653	0.0755
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.021	0.1576
Schistosoma mansoni	hypothetical protein	0.017	0.3298	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1335	0.206
Mycobacterium ulcerans	esterase/lipase LipP	0.0077	0.1335	0.4022
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.6201	1
Brugia malayi	beta-lactamase family protein	0.0077	0.1335	0.2553
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.3718	0.445

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -0.02 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.33 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0.57 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 97 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -3 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= -2 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 4 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 97 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.69	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.20529 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL530044
Search by GSK

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 591129