TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.39 | Formula: C14H28N7O5P
H donors: 4 H acceptors: 4 LogP: -3.52 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(P(=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)[O-])CCC.[NH4+]
InChi: 1S/C14H25N6O5P.H3N/c1-3-5-20(6-4-2)26(22,23)25-8-7-24-10-19-9-16-11-12(19)17-14(15)18-13(11)21;/h9H,3-8,10H2,1-2H3,(H,22,23)(H3,15,17,18,21);1H3
InChiKey: WBWJGCQNRDWNAR-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
Trichomonas vaginalis	esterase, putative	0.0042	0.0283	0.7835
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0405	0.0405
Echinococcus multilocularis	protein patched	0.0049	0.0362	0.0362
Echinococcus granulosus	geminin	0.0353	0.3642	0.8764
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.004	0.026	0.0956
Brugia malayi	map kinase activated protein kinase protein 2	0.0401	0.4155	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0053	0.0404	0.3793
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.003	0.0071
Onchocerca volvulus		0.0053	0.0404	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0283	0.0283
Echinococcus multilocularis	sterol regulatory element binding protein	0.0049	0.0362	0.0362
Echinococcus multilocularis	protein dispatched 1	0.0056	0.0437	0.0437
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0283	1
Schistosoma mansoni	hypothetical protein	0.0018	0.003	0.0071
Toxoplasma gondii	ABC1 family protein	0.0042	0.0283	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0053	0.0404	1
Brugia malayi	CHE-14 protein	0.0049	0.0362	0.087
Echinococcus granulosus	Protein patched homolog 1	0.0049	0.0362	0.087
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.003	0.0071
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0401	0.4155	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0283	0.7835
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.0625
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0283	0.7835
Entamoeba histolytica	hypothetical protein	0.0081	0.0703	0.6591
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0053	0.0404	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0343	0.0824
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0053	0.0404	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0283	0.7835
Echinococcus granulosus	GPCR family 2	0.0018	0.003	0.0071
Schistosoma mansoni	hypothetical protein	0.0081	0.0703	0.1691
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0283	0.1043
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0053	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.0625
Mycobacterium ulcerans	acyl-CoA synthetase	0.0053	0.0404	1
Schistosoma mansoni	hypothetical protein	0.0353	0.3642	0.8764
Schistosoma mansoni	hypothetical protein	0.004	0.0259	0.0624
Schistosoma mansoni	hypothetical protein	0.0018	0.003	0.0071
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0236	0.087
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0114	0.1066	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0081	0.0703	0.1691
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.003	0.0071
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0405	0.0976
Plasmodium vivax	acyl-CoA synthetase, putative	0.004	0.026	0.9167
Brugia malayi	beta-lactamase family protein	0.0042	0.0283	0.0682
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0283	0.0682
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0053	0.0404	0.3793
Plasmodium falciparum	acyl-CoA synthetase	0.004	0.026	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0283	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0283	0.1043
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0405	0.0976
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0283	0.7005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.003	0.0071
Entamoeba histolytica	acyl-coA synthetase, putative	0.0053	0.0404	0.3793
Onchocerca volvulus		0.0042	0.0283	0.7005
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0236	0.087
Echinococcus multilocularis	expressed conserved protein	0.0108	0.0992	0.0992
Brugia malayi	beta-lactamase	0.0042	0.0283	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Entamoeba histolytica	hypothetical protein	0.0081	0.0703	0.6591
Brugia malayi	beta-lactamase family protein	0.0042	0.0283	0.0682
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0283	0.1043
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0283	0.7005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0405	0.0976
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0283	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Echinococcus granulosus	Niemann Pick C1 protein	0.0114	0.1066	0.2566
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0081	0.0703	0.0703
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0283	0.7005
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.0625
Echinococcus granulosus	sterol regulatory element binding protein	0.0049	0.0362	0.087
Entamoeba histolytica	hypothetical protein	0.0081	0.0703	0.6591
Schistosoma mansoni	hypothetical protein	0.0018	0.003	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0404	0.0973
Schistosoma mansoni	serine/threonine protein kinase	0.0401	0.4155	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0343	0.0824
Leishmania major	4-coumarate:coa ligase-like protein	0.0053	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Brugia malayi	AMP-binding enzyme family protein	0.0053	0.0404	0.0973
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0236	0.087
Brugia malayi	AMP-binding enzyme family protein	0.0053	0.0404	0.0973
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0283	0.7005
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0283	0.7005
Onchocerca volvulus		0.0042	0.0283	0.7005
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0401	0.4155	0.4155
Leishmania major	4-coumarate:coa ligase-like protein	0.0053	0.0404	1
Brugia malayi	AMP-binding enzyme family protein	0.0053	0.0404	0.0973
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0405	0.0976
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0405	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0404	0.0973
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0283	0.7835
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1066	0.2566
Schistosoma mansoni	hypothetical protein	0.0047	0.0343	0.0824
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0283	0.7835
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0362	0.087
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0283	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.0283	0.7005
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0283	0.0682
Mycobacterium ulcerans	acyl-CoA synthetase	0.0053	0.0404	1
Echinococcus granulosus	expressed conserved protein	0.0108	0.0992	0.2386
Echinococcus multilocularis	Niemann Pick C1 protein	0.0164	0.1596	0.1596
Mycobacterium ulcerans	acyl-CoA synthetase	0.0053	0.0404	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0405	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0457	0.11
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0457	0.11
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.0625
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0259	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0404	0.0973
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0283	0.1043
Echinococcus multilocularis	GPCR, family 2	0.0018	0.003	0.003
Entamoeba histolytica	hypothetical protein	0.0081	0.0703	0.6591
Echinococcus multilocularis	Niemann Pick C1 protein	0.0114	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.004	0.0259	0.0624
Brugia malayi	hypothetical protein	0.0081	0.0703	0.1691
Brugia malayi	Niemann-Pick C1 protein precursor	0.0114	0.1066	0.2566
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0283	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0457	0.11
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0457	0.11
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0283	0.1043
Echinococcus multilocularis	geminin	0.0353	0.3642	0.3642
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0053	0.0404	1
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.0362	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0283	0.0682
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0283	0.1043
Schistosoma mansoni	hypothetical protein	0.0018	0.003	0.0071
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0283	0.1043
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0116	0.1086	0.2612
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.2716	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0053	0.0404	0.1489
Leishmania major	4-coumarate:coa ligase-like protein	0.0053	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Schistosoma mansoni	hypothetical protein	0.0047	0.0343	0.0824
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0405	0.0976
Schistosoma mansoni	hypothetical protein	0.0353	0.3642	0.8764
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0053	0.0404	1
Schistosoma mansoni	transcription factor LCR-F1	0.0081	0.0703	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0283	0.0682
Schistosoma mansoni	patched 1	0.0049	0.0362	0.087
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0283	0.0682
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0283	0.0682
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0283	0.1043
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0283	0.0682
Loa Loa (eye worm)	hypothetical protein	0.006	0.0481	0.1157
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.003	0.003
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.004	0.026	0.6421
Leishmania major	hypothetical protein, conserved	0.0042	0.0283	0.7005
Onchocerca volvulus		0.0042	0.0283	0.7005
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.0625
Echinococcus granulosus	Niemann Pick C1 protein	0.0164	0.1596	0.3841
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0053	0.0404	0.1489
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0405	0.0405
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0283	0.1043
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0283	0.7005
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0236	0.087
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0049	0.0362	0.087
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0404	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.003	0.0071
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.004	0.026	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.003	0.0071
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0401	0.4155	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

ChEMBL: CHEMBL2147484

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 1684694