TDR Targets

Basic information

Technical information

TDR Targets ID: 161364
Name: 2-[4-(3-aminopropylamino)butylsulfamoyl]-N-[6 -(diaminomethylideneamino)hexyl]acetamide
MW: 407.575 | Formula: C16H37N7O3S
H donors: 6 H acceptors: 3 LogP: -1.74 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: NCCCNCCCCNS(=O)(=O)CC(=O)NCCCCCCN=C(N)N
InChi: 1S/C16H37N7O3S/c17-8-7-10-20-9-5-6-13-23-27(25,26)14-15(24)21-11-3-1-2-4-12-22-16(18)19/h20,23H,1-14,17H2,(H,21,24)(H4,18,19,22)
InChiKey: YFRHFXJPCMRMDZ-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

2-[4-(3-aminopropylamino)butylsulfamoyl]-N-(6-guanidinohexyl)acetamide
2-[4-(3-azanylpropylamino)butylsulfamoyl]-N-[6-[bis(azanyl)methylideneamino]hexyl]ethanamide
2-[4-(3-aminopropylamino)butylsulfamoyl]-N-[6-(diaminomethylideneamino)hexyl]ethanamide

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
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.0339	0.1178
Brugia malayi	nuclear hormone receptor family member odr-7	0.0013	0.0339	0.1178
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.0456	0.0513
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.1436	0.5187
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0456	0.0456
Schistosoma mansoni	nuclear receptor	0.0013	0.0339	0.0339
Schistosoma mansoni	retinoic acid receptor RXR	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0456	0.1586
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.1436	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.2373	0.2373
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.1436	1
Toxoplasma gondii	AGC kinase	0.0008	0	0.5
Loa Loa (eye worm)	DR-78	0.0013	0.0339	0.1224
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.1436	0.1436
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.0339	0.1178
Schistosoma mansoni	atypical protein kinase C	0.0014	0.0453	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Schistosoma mansoni	hypothetical protein	0.0039	0.2373	0.2373
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0456	0.1586
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.0339	0.0339
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Echinococcus granulosus	protein kinase c iota type	0.0014	0.0453	0.0453
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.0339	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Brugia malayi	conserved hypotetical protein	0.0013	0.0339	0.1178
Brugia malayi	nuclear hormone receptor	0.0027	0.1436	0.4992
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.1436	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Brugia malayi	ecdysteroid receptor	0.0027	0.1436	0.4992
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.1436	0.4992
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.1436	0.1436
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0456	0.1648
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.0456	0.0456
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Schistosoma mansoni	coup transcription factor	0.0027	0.1436	0.1436
Onchocerca volvulus		0.0027	0.1436	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.2373	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Echinococcus granulosus	protein kinase c epsilon type	0.0015	0.0547	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0456	0.1648
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.3504	0.3504
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0008	0	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0013	0.0339	0.0339
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.1436	0.4992
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0013	0.0339	0.1178
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.1436	0.4992
Echinococcus multilocularis	protein kinase c iota type	0.0014	0.0453	0.0509
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0013	0.0339	0.1178
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.1436	0.1613
Entamoeba histolytica	hypothetical protein	0.0039	0.2373	1
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.1436	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Brugia malayi	hypothetical protein	0.0039	0.2373	0.8248
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.3504	0.3504
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.1436	0.1436
Brugia malayi	steroid hormone receptor	0.0027	0.1436	0.4992
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.1436	0.1436
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.1436	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Brugia malayi	nuclear receptor NHR-67	0.0013	0.0339	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Brugia malayi	nuclear receptor NHR-88	0.0013	0.0339	0.1178
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0013	0.0339	0.0381
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0013	0.0339	0.0339
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.0339	0.0381
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.1436	0.1436
Brugia malayi	hypothetical protein	0.0014	0.0456	0.1586
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.1436	0.4992
Schistosoma mansoni	serine/threonine protein kinase	0.0015	0.0547	0.0547
Brugia malayi	hypothetical protein	0.0013	0.0339	0.1178
Schistosoma mansoni	zinc finger protein	0.0013	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.1436	0.1613
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.1436	0.1436
Brugia malayi	nuclear hormone receptor	0.0013	0.0339	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0038	0.2316	0.8363
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.004	0.2424	0.8753
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.1436	0.1613
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.1436	0.4992
Brugia malayi	hypothetical protein	0.0014	0.0456	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Entamoeba histolytica	hypothetical protein	0.0039	0.2373	1
Schistosoma mansoni	nuclear receptor	0.0013	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.1436	0.1613
Brugia malayi	tailless protein	0.0013	0.0339	0.1178
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.1436	0.4992
Brugia malayi	nuclear receptor NHR-88	0.0027	0.1436	0.4992
Echinococcus granulosus	Protein kinase C brain isozyme	0.0054	0.3504	0.3504
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.1436	0.4992
Brugia malayi	hypothetical protein	0.0013	0.0339	0.1178
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.1436	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Echinococcus multilocularis	protein kinase c epsilon type	0.0015	0.0547	0.0615
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.1436	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0456	0.1648
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0013	0.0339	0.0339
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.1436	0.1436
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.1436	0.5187
Brugia malayi	nuclear receptor RXR	0.0014	0.0456	0.1586
Brugia malayi	ecdysone receptor	0.0013	0.0339	0.1178
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.0456	0.1648
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.1436	0.4992
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Loa Loa (eye worm)	nuclear hormone receptor	0.0013	0.0339	0.1224
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.0456	0.0456
Trichomonas vaginalis	AGC family protein kinase	0.0008	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.1436	0.4992
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.1436	0.5187
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.1436	0.1613
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0013	0.0339	0.0339
Echinococcus multilocularis	nuclear receptor nhr 48	0.0013	0.0339	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Echinococcus multilocularis	serine threonine protein kinase	0.0048	0.3051	0.3427
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.1436	0.1436
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.1436	0.5187
Echinococcus granulosus	thyroid hormone receptor alpha	0.0013	0.0339	0.0339
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.1436	0.1436
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.1436	0.4992
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.1436	0.4992
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.1436	0.1436
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0015	0.0547	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.1436	0.1436
Brugia malayi	protein kinase C II.	0.0015	0.0547	0.1903
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.1436	0.1436
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0054	0.3504	0.3936
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1436	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2769	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0456	0.1648
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0013	0.0339	0.0381
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.1436	0.4992
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0038	0.2316	0.2601
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0013	0.0339	0.1224
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.2373	0.2373
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.1436	0.4992
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.1436	0.1613
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.1436	0.1436
Brugia malayi	Protein kinase c protein 2	0.0046	0.2877	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.1436	0.4992
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0013	0.0339	0.1224
Echinococcus multilocularis	RNA directed DNA polymerase	0.0038	0.2316	0.2601
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.1436	0.1436
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.1436	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.1436	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0339	0.1224
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.0339	0.0339
Echinococcus granulosus	nuclear receptor nhr 48	0.0013	0.0339	0.0339
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.1436	0.4992
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.1436	0.1613
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0013	0.0339	0.0339
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.2373	0.2665
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0456	0.1648
Brugia malayi	orphan nuclear receptor NR2E1	0.0013	0.0339	0.1178
Entamoeba histolytica	hypothetical protein	0.0039	0.2373	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.1436	0.4992
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.1436	0.1436
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.1436	0.5187
Echinococcus granulosus	protein kinase C gamma type	0.0048	0.3051	0.3051
Echinococcus granulosus	RNA directed DNA polymerase	0.0038	0.2316	0.2316
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.1436	0.1613
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0124	0.8903	1
Brugia malayi	nuclear receptor RXR	0.0013	0.0339	0.1178
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.0339	0.0339
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.1436	0.5187
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.1436	0.1436

Activities

Activity type	Activity value	Assay description	Source	Reference
Mean survival (functional)	= 15 day	In vivo immunosuppressive activity in mouse GVHD (graft-versus-host disease) model and the mean survival days evaluated (dose of 3 mg/kg)	ChEMBL.	9925733
Mean survival (functional)	= 15 day	In vivo immunosuppressive activity in mouse GVHD (graft-versus-host disease) model and the mean survival days evaluated (dose of 3 mg/kg)	ChEMBL.	9925733

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: 10573462

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 161364