TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.453 | Formula: C22H25N3O
H donors: 0 H acceptors: 1 LogP: 3.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1c1occ(n1)CN1CCN(CC1)Cc1ccccc1
InChi: 1S/C22H25N3O/c1-18-7-5-6-10-21(18)22-23-20(17-26-22)16-25-13-11-24(12-14-25)15-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3
InChiKey: IRVHNDYPJLKLPN-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
Onchocerca volvulus		0.0098	0.1595	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.017	0.3119	0.8065
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0045	0.0469	0.1912
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0077	0.1149	0.1149
Mycobacterium ulcerans	esterase/lipase LipP	0.0077	0.1149	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0202	0.381	1
Brugia malayi	RNA binding protein	0.0202	0.381	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0038	0.0308	0.0205
Loa Loa (eye worm)	beta-lactamase	0.0077	0.1149	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1149	1
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.381	1
Trypanosoma brucei	hypothetical protein, conserved	0.0077	0.1149	1
Echinococcus granulosus	dna polymerase kappa	0.0045	0.0469	0.0459
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0469	0.1912
Loa Loa (eye worm)	RNA binding protein	0.0202	0.381	1
Echinococcus multilocularis	tar DNA binding protein	0.0202	0.381	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.1149	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.1149	0.2401
Mycobacterium tuberculosis	Probable esterase LipL	0.0077	0.1149	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Mycobacterium leprae	Probable lipase LipE	0.0077	0.1149	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0077	0.1149	0.1149
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0038	0.0308	0.0205
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.0235	0.2043
Echinococcus granulosus	beta LACTamase domain containing family member	0.0077	0.1149	0.2401
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.0235	0.2043
Brugia malayi	beta-lactamase	0.0077	0.1149	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.1149	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0077	0.1149	0.1149
Brugia malayi	RNA recognition motif domain containing protein	0.0202	0.381	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.017	0.3119	0.8025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0469	0.1912
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0077	0.1149	0.2556
Brugia malayi	beta-lactamase family protein	0.0077	0.1149	0.2556
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.0308	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1149	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.1149	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0077	0.1149	0.2556
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.381	1
Mycobacterium leprae	conserved hypothetical protein	0.0077	0.1149	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0077	0.1149	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.017	0.3119	0.8025
Trichomonas vaginalis	esterase, putative	0.0077	0.1149	1
Echinococcus granulosus	tar DNA binding protein	0.0202	0.381	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.017	0.3119	0.8065
Echinococcus granulosus	lysosomal alpha glucosidase	0.017	0.3119	0.8025
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.0308	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0077	0.1149	0.2401
Mycobacterium ulcerans	beta-lactamase	0.0077	0.1149	1
Brugia malayi	TAR-binding protein	0.0202	0.381	1
Toxoplasma gondii	ABC1 family protein	0.0077	0.1149	1
Mycobacterium ulcerans	lipase LipD	0.0077	0.1149	1
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1149	0.1149
Giardia lamblia	DINP protein human, muc B family	0.0023	0	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0469	0.1912
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.381	1
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1149	0.1149
Plasmodium vivax	hypothetical protein, conserved	0.0077	0.1149	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.381	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.1149	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Mycobacterium tuberculosis	Probable lipase LipE	0.0077	0.1149	0.1149
Trypanosoma brucei	glucosidase, putative	0.0038	0.0308	0.2679
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Trypanosoma brucei	unspecified product	0.0038	0.0314	0.2733
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Schistosoma mansoni	alpha-glucosidase	0.0146	0.2615	0.6589
Trichomonas vaginalis	DNA polymerase eta, putative	0.0045	0.0469	0.1912
Mycobacterium ulcerans	hypothetical protein	0.0077	0.1149	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0314	0.2733
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0469	0.1912
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.0469	0.4079
Mycobacterium tuberculosis	Conserved protein	0.0077	0.1149	0.1149
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Echinococcus multilocularis	dna polymerase kappa	0.0045	0.0469	0.0459
Mycobacterium tuberculosis	Probable hydrolase	0.0077	0.1149	0.1149
Brugia malayi	beta-lactamase family protein	0.0077	0.1149	0.2556
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.0469	0.4079
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1149	0.2556
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0469	0.4079
Leishmania major	alpha glucosidase II subunit, putative	0.0038	0.0308	0.2679
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.1149	0.2401
Leishmania major	hypothetical protein, conserved	0.0077	0.1149	1
Loa Loa (eye worm)	TAR-binding protein	0.0202	0.381	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0077	0.1149	0.1149
Schistosoma mansoni	alpha-glucosidase	0.0146	0.2615	0.6589
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.381	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.1149	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -1 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	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

ChEMBL: CHEMBL1862398

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 1043527