TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.828 | Formula: C20H17ClN4O
H donors: 1 H acceptors: 2 LogP: 4.52 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)n1[nH]c(c(c1=O)c1cc(nn1c1ccccc1)C)C
InChi: 1S/C20H17ClN4O/c1-13-12-18(24(22-13)16-6-4-3-5-7-16)19-14(2)23-25(20(19)26)17-10-8-15(21)9-11-17/h3-12,23H,1-2H3
InChiKey: ZPNMLIXYABYUPS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055

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
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.034	1	1
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0338	0.993	0.993
Brugia malayi	Carboxyl transferase domain containing protein	0.0326	0.9533	0.9533
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0048	0.0159
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0133	0.304	0.3062
Onchocerca volvulus		0.0114	0.2405	0.5
Trypanosoma brucei	unspecified product	0.0085	0.1423	0.1423
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0046	0.0119	0.0119
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.034	1	1
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.034	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0133	0.304	1
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0129	0.2904	0.2818
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0048	0.0159
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0058	0.0517	0.5
Toxoplasma gondii	pyruvate carboxylase	0.0129	0.2904	0.2904
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0209	0.5607	0.5607
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0046	0.0119	0.0119
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0244	0.6794	0.6794
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0133	0.304	1
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0338	0.993	1
Schistosoma mansoni	dihydroorotate dehydrogenase	0.034	1	1
Schistosoma mansoni	alpha-glucosidase	0.0169	0.4271	0.4271
Plasmodium falciparum	dihydroorotate dehydrogenase	0.034	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0133	0.304	0.304
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0133	0.304	0.3062
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.5192	0.5446
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0129	0.2904	0.2818
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0129	0.2904	0.2818
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0129	0.2904	0.2904
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0046	0.0119	0.012
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0048	0.0048
Schistosoma mansoni	acetyl-CoA carboxylase	0.0338	0.993	0.993
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0048	0.0159
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0048	0.0049
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0129	0.2904	0.2818
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0048	0.0159
Schistosoma mansoni	pyruvate carboxylase	0.0129	0.2904	0.2904
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0048	0.0159
Schistosoma mansoni	alpha-glucosidase	0.0169	0.4271	0.4271
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0046	0.0119	0.0119
Trypanosoma brucei	acetyl-CoA carboxylase	0.0338	0.993	0.993
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0338	0.993	1
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0046	0.0119	0.0119
Leishmania major	dihydroorotate dehydrogenase	0.034	1	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.5192	0.5228
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.034	1	1
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0326	0.9533	1
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0244	0.6794	0.6794
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0129	0.2904	0.2904
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0129	0.2904	0.2904
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0046	0.0119	0.0119
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0048	0.0159
Trypanosoma brucei	glucosidase, putative	0.0044	0.0048	0.0048
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.034	1	1
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0129	0.2904	0.2925
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0129	0.2904	0.2818
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.034	1	1
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.034	1	1
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0129	0.2904	0.2818
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0048	0.0159
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0133	0.304	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0133	0.304	1
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0129	0.2904	0.2904
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0046	0.0119	0.0119
Leishmania major	carboxylase, putative	0.0129	0.2904	0.2904
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0338	0.993	0.993
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0133	0.304	1
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0129	0.2904	0.2904
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.034	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0048	0.0159
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0048	0.0048
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0046	0.0119	0.012
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0048	0.0051
Leishmania major	acetyl-CoA carboxylase, putative	0.0338	0.993	0.993
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.5192	0.5228
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0133	0.304	0.3062
Mycobacterium ulcerans	pyruvate carboxylase	0.0129	0.2904	0.2818
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0048	0.0048
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0129	0.2904	0.2925
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0048	0.0159
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.034	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.5192	0.5228
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0129	0.2904	0.2818
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0129	0.2904	0.2904
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0046	0.0119	0.0119
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0048	0.0159
Schistosoma mansoni	alpha glucosidase	0.0044	0.0048	0.0048
Brugia malayi	Zinc finger, C2H2 type family protein	0.0133	0.304	0.304
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0129	0.2904	0.2904
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.5192	0.5192
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0048	0.0159
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0048	0.0049
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0046	0.0119	0.0119
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0133	0.304	0.3062
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0058	0.0517	0.17
Chlamydia trachomatis	biotin carboxylase	0.0117	0.2507	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0048	0.0048
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.034	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.034	1	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0133	0.304	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0133	0.304	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0048	0.0048

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1413 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3145076

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1851175