TDR Targets

Basic information

Technical information

TDR Targets ID: 91437
Name: N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-9 -carboxamide
MW: 351.445 | Formula: C20H25N5O
H donors: 3 H acceptors: 2 LogP: 0.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: NCCN(CCNC(=O)c1c2ccccc2nc2c1cccc2)CCN
InChi: 1S/C20H25N5O/c21-9-12-25(13-10-22)14-11-23-20(26)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-8H,9-14,21-22H2,(H,23,26)
InChiKey: FCQOWNOYUGXXHE-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

N-[2-[bis(2-aminoethyl)amino]ethyl]-9-acridinecarboxamide
N-[2-[bis(2-azanylethyl)amino]ethyl]acridine-9-carboxamide
N-[2-(bis(2-aminoethyl)amino)ethyl]acridine-9-carboxamide
N-[2-(bis(2-aminoethyl)amino)ethyl]-9-acridinecarboxamide
AIDS-070531
AIDS070531
Acridin-9-yl-N-{2-[bis(2-aminoethyl)amino]ethyl}carboxamide
CGP 73638A

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
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0681	0.5
Echinococcus granulosus	tar DNA binding protein	0.0333	0.4476	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0782	0.1747
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0681	1
Onchocerca volvulus		0.0072	0.0681	0.5325
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Loa Loa (eye worm)	MH2 domain-containing protein	0.0258	0.3381	0.7554
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0156	0.1896	0.4237
Echinococcus multilocularis	tar DNA binding protein	0.0333	0.4476	0.4393
Leishmania major	hypothetical protein, conserved	0.0079	0.0782	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0079	0.0782	1
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0681	0.1074
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0461	0.634	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.4476	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1896	0.4237
Schistosoma mansoni	hypothetical protein	0.0049	0.0348	0.0464
Onchocerca volvulus		0.0072	0.0681	0.5325
Brugia malayi	beta-lactamase family protein	0.0072	0.0681	0.1521
Brugia malayi	RNA recognition motif domain containing protein	0.0333	0.4476	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0681	1
Echinococcus multilocularis	lamin	0.0113	0.1279	0.1149
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Echinococcus granulosus	intermediate filament protein	0.0113	0.1279	0.1149
Schistosoma mansoni	intermediate filament proteins	0.0113	0.1279	0.2615
Trypanosoma cruzi	PAB1-binding protein , putative	0.0079	0.0782	1
Echinococcus granulosus	GPCR family 2	0.0049	0.0348	0.0204
Plasmodium falciparum	ataxin-2 like protein, putative	0.0079	0.0782	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0079	0.0782	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0348	0.0777
Brugia malayi	Intermediate filament tail domain containing protein	0.0113	0.1279	0.2857
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.4476	1
Schistosoma mansoni	cellular tumor antigen P53	0.0104	0.1149	0.2314
Brugia malayi	beta-lactamase	0.0072	0.0681	0.1521
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0681	0.1521
Onchocerca volvulus		0.0104	0.1149	0.8982
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0681	1
Trichomonas vaginalis	esterase, putative	0.0072	0.0681	0.5
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0681	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0681	0.1074
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0681	0.0542
Loa Loa (eye worm)	RNA binding protein	0.0333	0.4476	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1149	0.2566
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.4476	1
Echinococcus multilocularis	lamin dm0	0.0113	0.1279	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0681	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0106	0.118	0.2636
Schistosoma mansoni	hypothetical protein	0.0049	0.0348	0.0464
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0079	0.0782	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0681	0.5
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0681	0.1074
Leishmania major	hypothetical protein, conserved	0.0072	0.0681	0.8711
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0681	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0681	0.1074
Schistosoma mansoni	hypothetical protein	0.0049	0.0348	0.0464
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0681	0.1074
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0716	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0396	0.0885
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0681	0.1233
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0055	0.0426	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Onchocerca volvulus		0.0113	0.1279	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0113	0.1279	0.2857
Brugia malayi	TAR-binding protein	0.0333	0.4476	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0681	0.1521
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0681	1
Schistosoma mansoni	lamin	0.0113	0.1279	0.2615
Echinococcus granulosus	lamin dm0	0.0113	0.1279	0.1149
Trypanosoma cruzi	PAB1-binding protein , putative	0.0079	0.0782	1
Brugia malayi	hypothetical protein	0.0079	0.0782	0.1747
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0681	0.1521
Brugia malayi	RNA binding protein	0.0333	0.4476	1
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0681	0.1074
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.4476	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0258	0.3381	0.7554
Schistosoma mansoni	hypothetical protein	0.0106	0.118	0.2385
Mycobacterium ulcerans	lipase LipD	0.0072	0.0681	1
Loa Loa (eye worm)	TAR-binding protein	0.0333	0.4476	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0681	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0681	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0681	0.0542
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0716	0.0577
Onchocerca volvulus		0.0072	0.0681	0.5325
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0061	0.0514	0.1148
Brugia malayi	MH2 domain containing protein	0.0258	0.3381	0.7554
Brugia malayi	intermediate filament protein	0.0113	0.1279	0.2857
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0333	0.4476	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0348	0.0464
Onchocerca volvulus		0.0113	0.1279	1
Schistosoma mansoni	tar DNA-binding protein	0.0333	0.4476	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.118	0.2636
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0348	0.0204
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0348	0.0777
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0348	0.0204
Schistosoma mansoni	lamin	0.0113	0.1279	0.2615
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0681	0.1074
Brugia malayi	hypothetical protein	0.0075	0.0716	0.1599
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0681	0.1074
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0348	0.0204
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Brugia malayi	hypothetical protein	0.0051	0.0374	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0426	0.0952
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0716	0.1314
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0681	0.1521
Schistosoma mansoni	hypothetical protein	0.0075	0.0716	0.1314
Echinococcus granulosus	lamin	0.0113	0.1279	0.1149
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0681	0.5
Brugia malayi	beta-lactamase family protein	0.0072	0.0681	0.1521
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0681	0.1074
Echinococcus multilocularis	musashi	0.0113	0.1279	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0396	0.0885
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0055	0.0426	0.0283
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0348	0.0777
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0681	0.1233
Trypanosoma brucei	PAB1-binding protein , putative	0.0079	0.0782	1
Loa Loa (eye worm)	intermediate filament protein	0.0113	0.1279	0.2857
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0156	0.1896	0.4237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0348	0.0204
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0348	0.0777
Echinococcus multilocularis	tumor protein p63	0.0713	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0156	0.1896	0.4237
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1279	0.2857
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1249	0.279
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0348	0.0204
Brugia malayi	cytoplasmic intermediate filament protein	0.0061	0.0514	0.1148

Activities

Activity type	Activity value	Assay description	Source	Reference
K (binding)	= 150000 M-1	Binding affinity of the compound towards calf thymus DNA was determined	ChEMBL.	No reference

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

PubChem: 470830

Bibliographic References

No literature references available for this target.

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Detailed information for compound 91437