TDR Targets

Basic information

Technical information

TDR Targets ID: 318282
Name: N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2 -[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethy l]pyridine-4-carboxamide
MW: 496.388 | Formula: C25H23Cl2N5O2
H donors: 0 H acceptors: 3 LogP: 4.32 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)N1CCN(CC1)C(=O)CN(C(=O)c1ccncc1)/N=C/c1ccccc1Cl
InChi: 1S/C25H23Cl2N5O2/c26-21-5-3-6-22(16-21)30-12-14-31(15-13-30)24(33)18-32(25(34)19-8-10-28-11-9-19)29-17-20-4-1-2-7-23(20)27/h1-11,16-17H,12-15,18H2/b29-17+
InChiKey: OWVNIGRPYNRGEE-STBIYBPSSA-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

N-[(E)-(2-chlorophenyl)methyleneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide
N-[(E)-(2-chlorophenyl)methyleneamino]-N-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-4-pyridinecarboxamide
N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide
N-[(E)-(2-chlorobenzylidene)amino]-N-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]isonicotinamide
N-[(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
N-[(2-chlorophenyl)methyleneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide
N-[(2-chlorophenyl)methyleneamino]-N-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-4-pyridinecarboxamide
N-[(2-chlorobenzylidene)amino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-keto-ethyl]isonicotinamide
N-[(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide
AIDS227137
4-Pyridinecarboxylic acid, 2-[(1E)-(2-chlorophenyl)methylene]-1-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]hydrazide
AIDS-227137

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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0064	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6325	0.5874
Toxoplasma gondii	flagellar/basal body protein	0.0019	0.1095	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1168	1
Onchocerca volvulus		0.0064	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.6325	0.5874
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0019	0.1095	0.9375
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.6325	0.5874
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.6325	0.5874
Echinococcus multilocularis	dna polymerase eta	0.0019	0.1168	0.0082
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1168	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0019	0.1095	0.5
Onchocerca volvulus		0.0064	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1168	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.1168	0.0606
Brugia malayi	LD47325p	0.0025	0.23	0.2303
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0064	1	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.1168	0.0082
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.1168	0.0082
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1168	0.014
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.1168	0.014
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.1168	0.0082
Onchocerca volvulus	Carboxypeptidase D homolog	0.0044	0.599	0.5497
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0019	0.1095	0.9375
Brugia malayi	Zinc carboxypeptidase family protein	0.0044	0.599	0.9359
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.6325	0.5874
Trypanosoma brucei	Carboxypeptidase-like protein	0.0019	0.1095	0.9375
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0019	0.1095	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6325	0.5874
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.1168	0.0606
Onchocerca volvulus		0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.23	0.2303
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0019	0.1095	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1168	1
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0064	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.1168	0.0082
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1168	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1168	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.1168	1
Giardia lamblia	DINP protein human, muc B family	0.0019	0.1168	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.6309	0.9969
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6325	0.5874
Trichomonas vaginalis	carboxypeptidase regulatory region-containing protein, putative	0.0025	0.23	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.1168	0.0082
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.1168	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0044	0.599	0.9359
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.1168	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.1168	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.1168	0.5
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0019	0.1095	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0044	0.599	0.9359
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1168	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0044	0.599	0.9359
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1168	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.1168	0.5
Onchocerca volvulus		0.0064	1	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.1168	0.0082
Leishmania major	DNA polymerase kappa, putative	0.0019	0.1168	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.1168	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.1168	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.1168	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1168	0.014
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.6325	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1168	1
Trypanosoma brucei	unspecified product	0.0019	0.1168	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1168	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1168	0.014
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.6325	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against Mycobacterium tuberculosis H37Rv ATCC 27294	ChEMBL.	15745799
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against sensitive Mycobacterium tuberculosis clinical isolates; N=9	ChEMBL.	15745799
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against resistant Mycobacterium tuberculosis clinical isolates; N=9	ChEMBL.	15745799
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against Mycobacterium tuberculosis H37Rv ATCC 27294	ChEMBL.	15745799
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against sensitive Mycobacterium tuberculosis clinical isolates; N=9	ChEMBL.	15745799
MIC (functional)	> 16 ug ml-1	Minimum inhibitory concentration of the compound against resistant Mycobacterium tuberculosis clinical isolates; N=9	ChEMBL.	15745799

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: CHEMBL180996
PubChem: 11821000

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 318282