TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 282.34 | Formula: C16H18N4O
H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(cc(n1)N1CCCC1)NC(=O)c1ccccc1
InChi: 1S/C16H18N4O/c1-12-17-14(11-15(18-12)20-9-5-6-10-20)19-16(21)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,19,21)
InChiKey: TYMYCKLMGIVRMS-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

Species	Target name	Source	Bibliographic reference
Mus musculus	GLI-Kruppel family member GLI1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	zinc finger transcription factor gli2	Get druggable targets OG5_130785	All targets in OG5_130785
Brugia malayi	Zinc finger, C2H2 type family protein	Get druggable targets OG5_130785	All targets in OG5_130785
Echinococcus granulosus	zinc finger transcription factor gli2	Get druggable targets OG5_130785	All targets in OG5_130785
Loa Loa (eye worm)	zinc finger protein	Get druggable targets OG5_130785	All targets in OG5_130785

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
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0878	0.5
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0878	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0279	0.0279
Schistosoma mansoni	hypothetical protein	0.0037	0.0821	0.9351
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0075	0.0075
Onchocerca volvulus		0.0039	0.0878	0.1703
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0878	0.0878
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0878	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0075	0.0075
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0279	0.0279
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0075	0.086
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0279	0.0279
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0821	0.0821
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0075	0.0075
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0075	0.0075
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0878	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0279	0.3181
Brugia malayi	beta-lactamase family protein	0.0039	0.0878	0.0878
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0075	0.086
Loa Loa (eye worm)	hypothetical protein	0.001	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0373	1	1
Echinococcus granulosus	GPCR family 2	0.0017	0.0279	0.0279
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0196	0.5154	0.5154
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1287	0.1287
Onchocerca volvulus		0.0039	0.0878	0.1703
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0075	0.0075
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0075	0.0075
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0075	0.0075
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Onchocerca volvulus		0.001	0.0075	0.0146
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0878	0.0878
Toxoplasma gondii	ABC1 family protein	0.0039	0.0878	1
Schistosoma mansoni	dishevelled	0.001	0.0075	0.086
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0878	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0279	0.0279
Brugia malayi	hypothetical protein	0.001	0.0075	0.0075
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0878	0.5
Schistosoma mansoni	dishevelled	0.001	0.0075	0.086
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0878	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0075	0.0075
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0878	0.5
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0878	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0821	0.0821
Onchocerca volvulus		0.0039	0.0878	0.1703
Brugia malayi	DIX domain containing protein	0.001	0.0075	0.0075
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1287	0.1287
Brugia malayi	beta-lactamase family protein	0.0039	0.0878	0.0878
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0279	0.0279
Trichomonas vaginalis	esterase, putative	0.0039	0.0878	1
Loa Loa (eye worm)	zinc finger protein	0.0373	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0878	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0878	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1287	0.1287
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0075	0.0075
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0279	0.0279
Brugia malayi	hypothetical protein	0.001	0.0075	0.0075
Brugia malayi	N-terminal motif family protein	0.0196	0.5154	0.5154
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0878	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0075	0.0075
Leishmania major	hypothetical protein, conserved	0.0039	0.0878	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0279	0.3181
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0075	0.086
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Schistosoma mansoni	hypothetical protein	0.0017	0.0279	0.3181
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1287	0.1287
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Schistosoma mansoni	dep domain containing protein	0.001	0.0075	0.086
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0878	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0249	0.6618	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0075	0.0146
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0878	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0279	0.0279
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0878	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0878	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0878	0.0878
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0075	0.0075
Entamoeba histolytica	hypothetical protein	0.0007	0	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0075	0.0075
Brugia malayi	beta-lactamase	0.0039	0.0878	0.0878
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0878	0.0878
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0075	0.0075
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0075	0.0075
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0196	0.5154	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0279	0.3181
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0878	0.0878
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0878	1
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0878	0.0878
Echinococcus granulosus	zinc finger transcription factor gli2	0.0373	1	1
Mycobacterium ulcerans	lipase LipD	0.0039	0.0878	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	11.7 uM	PubChem BioAssay. SAR analysis of small molecule antagonists of Gli-SUFU in a luminescent reporter assay - Set 1. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	21.8 uM	PubChem BioAssay. SAR analysis of small molecule antagonists of Gli-SUFU in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory)	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: CHEMBL3185558

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 1873665