TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 438.562 | Formula: C25H34N4O3
H donors: 2 H acceptors: 4 LogP: 3.84 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cn(cc(c1=O)C(=O)NC(C)(C)C)C1CCCCC1)NCCCc1ccncc1
InChi: 1S/C25H34N4O3/c1-25(2,3)28-24(32)21-17-29(19-9-5-4-6-10-19)16-20(22(21)30)23(31)27-13-7-8-18-11-14-26-15-12-18/h11-12,14-17,19H,4-10,13H2,1-3H3,(H,27,31)(H,28,32)
InChiKey: KJULMAPUYLFACL-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

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
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0186	0.4285	1
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0818	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2819	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2095	0.4787
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.2819	0.651
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0067	0.1305	0.1336
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0499	0.0273
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2819	0.3329
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.024	0.213
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.024	0.2391
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	1
Brugia malayi	RNA binding protein	0.0127	0.2819	0.6578
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2819	0.3329
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0291	0.0493
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0091	0.1907	0.2128
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0098	0.2095	0.2376
Plasmodium vivax	ataxin-2 like protein, putative	0.0023	0.0207	0.5945
Trypanosoma cruzi	hypothetical protein, conserved	0.0413	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.024	0.213
Schistosoma mansoni	hypothetical protein	0.0035	0.0499	0.0273
Echinococcus multilocularis	geminin	0.0329	0.7883	1
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0048	0.0818	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.024	0.213
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.2819	0.651
Schistosoma mansoni	cellular tumor antigen P53	0.0046	0.077	0.063
Loa Loa (eye worm)	hypothetical protein	0.0025	0.024	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0207	0.0293
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0499	0.0273
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.024	0.0561
Trypanosoma cruzi	hypothetical protein, conserved	0.0413	1	1
Echinococcus granulosus	geminin	0.0329	0.7883	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.002	0.0137	0.0127
Trypanosoma brucei	hypothetical protein, conserved	0.0413	1	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0048	0.0818	0.0623
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0048	0.0818	1
Brugia malayi	hypothetical protein	0.0023	0.0207	0.0484
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2819	0.3329
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0207	1
Echinococcus multilocularis	tumor protein p63	0.0312	0.7462	0.9445
Loa Loa (eye worm)	RNA binding protein	0.0127	0.2819	0.651
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0048	0.0818	0.0693
Mycobacterium tuberculosis	Conserved protein	0.0048	0.0818	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.024	0.0372
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.024	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0499	0.0304
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0084	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.024	0.5
Schistosoma mansoni	metabotropic glutamate receptor	0.0039	0.0602	0.0409
Brugia malayi	Pre-SET motif family protein	0.0186	0.4285	1
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.2819	0.3329
Brugia malayi	Receptor family ligand binding region containing protein	0.002	0.0137	0.0321
Brugia malayi	metabotropic glutamate receptor type 2	0.0039	0.0602	0.1404
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0048	0.0818	1
Loa Loa (eye worm)	glutamate receptor	0.0031	0.0413	0.0782
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.024	0.0561
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0818	1
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0048	0.0818	0.0623
Schistosoma mansoni	hypothetical protein	0.0329	0.7883	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.024	0.0372
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0027	0.0291	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.024	0.213
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0098	0.2095	0.2401
Brugia malayi	TAR-binding protein	0.0127	0.2819	0.6578
Loa Loa (eye worm)	glutamate receptor	0.008	0.1631	0.3683
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.002	0.0137	0.0127
Onchocerca volvulus		0.0046	0.077	0.1129
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0067	0.1305	0.1363
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.024	0.0034
Echinococcus granulosus	citrate lyase subunit beta protein	0.0048	0.0818	0.0723
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.024	0.0034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.024	0.213
Brugia malayi	Metabotropic glutamate receptor precursor.	0.008	0.1631	0.3807
Mycobacterium ulcerans	hypothetical protein	0.0025	0.024	0.213
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.2819	0.6578
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.024	0.2391
Schistosoma mansoni	hypothetical protein	0.0329	0.7883	1
Echinococcus granulosus	tar DNA binding protein	0.0127	0.2819	0.3351
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.024	0.0034
Brugia malayi	hypothetical protein	0.0035	0.0499	0.1163
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.024	0.213
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.024	0.213
Echinococcus granulosus	tumor protein p63	0.0312	0.7462	0.9447
Trichomonas vaginalis	set domain proteins, putative	0.0211	0.4929	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.077	0.1632
Onchocerca volvulus		0.0027	0.0291	0.0109
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.024	0.0561
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2819	0.3329
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0048	0.0818	0.0623
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0084	0.0332
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0072	0.1442	0.3366
Echinococcus granulosus	histone lysine methyltransferase setb	0.0027	0.0291	0.0032
Onchocerca volvulus		0.0211	0.4929	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0207	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0067	0.1305	0.1336
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0048	0.0818	1
Plasmodium vivax	SET domain protein, putative	0.0027	0.0291	1
Brugia malayi	Pre-SET motif family protein	0.0027	0.0291	0.068
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	1

Activities

No activities found for this compound.

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

Search by Saint Jude

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 809045