TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 247.675 | Formula: C10H14ClNO4
H donors: 3 H acceptors: 3 LogP: 0.98 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCC(c1ccc(c(c1)C(=O)OC)O)O.Cl
InChi: 1S/C10H13NO4.ClH/c1-15-10(14)7-4-6(9(13)5-11)2-3-8(7)12;/h2-4,9,12-13H,5,11H2,1H3;1H
InChiKey: CBHGGHGLDABLAR-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
Mycobacterium ulcerans	monoamine oxidase	0.0069	0.0615	0.03
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0324	0.0541
Onchocerca volvulus		0.0069	0.0615	0.1406
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0324	0.0541
Echinococcus multilocularis	protein tyrosine kinase	0.0258	0.2566	0.4276
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0324	0.0541
Loa Loa (eye worm)	TK/INSR protein kinase	0.019	0.1865	0.3108
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0324	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0031	0.0052
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0069	0.0615	1
Schistosoma mansoni	amine oxidase	0.0069	0.0615	0.1024
Brugia malayi	MH2 domain containing protein	0.014	0.1343	0.2239
Brugia malayi	SWIRM domain containing protein	0.0069	0.0615	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0031	0.0052
Brugia malayi	Smad1	0.001	0.0002	0.0003
Schistosoma mansoni	tyrosine kinase	0.0319	0.3189	0.5314
Schistosoma mansoni	smad	0.001	0.0002	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0264	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Brugia malayi	MH2 domain containing protein	0.001	0.0002	0.0003
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0069	0.0615	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.019	0.1865	0.3108
Echinococcus granulosus	protein tyrosine kinase	0.0258	0.2566	0.4276
Echinococcus granulosus	neuroglian	0.0012	0.0025	0.0041
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0156	0.1516	0.2526
Brugia malayi	amine oxidase, flavin-containing family protein	0.0069	0.0615	0.1024
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0566	0.5744	0.5601
Echinococcus granulosus	epidermal growth factor receptor	0.0591	0.6001	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0069	0.0615	0.5
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0069	0.0615	0.1024
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0069	0.0615	1
Mycobacterium ulcerans	dehydrogenase	0.0069	0.0615	0.03
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Schistosoma mansoni	smad1 5 8 and	0.001	0.0002	0.0003
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0069	0.0615	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0069	0.0615	0.1024
Echinococcus multilocularis	smad	0.001	0.0002	0.0003
Brugia malayi	beta-lactamase	0.0041	0.0324	0.0541
Echinococcus multilocularis		0.0182	0.1785	0.2974
Schistosoma mansoni	tyrosine kinase	0.0319	0.3189	0.5314
Echinococcus multilocularis	roundabout 2	0.0015	0.0056	0.0093
Schistosoma mansoni	tyrosine kinase	0.0313	0.3134	0.5223
Schistosoma mansoni	tyrosine kinase	0.019	0.1865	0.3108
Brugia malayi	MH1 domain containing protein	0.001	0.0002	0.0003
Mycobacterium tuberculosis	Possible oxidoreductase	0.0069	0.0615	0.0324
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0002	0.0003
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0069	0.0615	0.1024
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0069	0.0615	0.0324
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.276	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0324	0.0541
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0615	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0264	0.0439
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.2413	0.4022
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.1343	0.2239
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0002	0.0003
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0324	0.0541
Echinococcus multilocularis	epidermal growth factor receptor	0.0591	0.6001	1
Echinococcus granulosus	insulin receptor	0.019	0.1865	0.3108
Plasmodium falciparum	protoporphyrinogen oxidase	0.0069	0.0615	0.5
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0031	0.0052
Brugia malayi	Pre-SET motif family protein	0.0243	0.2413	0.4022
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541
Schistosoma mansoni	smad1 5 8 and	0.001	0.0002	0.0003
Schistosoma mansoni	tyrosine kinase	0.0591	0.6001	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541
Onchocerca volvulus	Tyrosine kinase homolog	0.0146	0.1413	0.4603
Schistosoma mansoni	nephrin	0.0012	0.0025	0.0041
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0069	0.0615	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0002	0.0003
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0264	0.0439
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0002	0.0003
Onchocerca volvulus		0.0041	0.0324	0.0244
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0264	0.0439
Onchocerca volvulus		0.0139	0.1334	0.4287
Echinococcus granulosus	twitchin	0.0012	0.0025	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0056	0.0093
Echinococcus granulosus	epidermal growth factor receptor	0.0319	0.3189	0.5314
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0615	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.025	0.0417
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0591	0.6001	1
Toxoplasma gondii	ABC1 family protein	0.0041	0.0324	0.1734
Schistosoma mansoni	tyrosine kinase	0.019	0.1865	0.3108
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.019	0.1865	0.3108
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0069	0.0615	0.03
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0002	0.0003
Leishmania major	UDP-galactopyranose mutase	0.0069	0.0615	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0069	0.0615	0.1024
Echinococcus granulosus	roundabout 2	0.0015	0.0056	0.0093
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0069	0.0615	0.1024
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0264	0.0439
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0069	0.0615	0.1024
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0069	0.0615	1
Onchocerca volvulus		0.0277	0.276	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0002	0.0003
Brugia malayi	hypothetical protein	0.0069	0.0615	0.1024
Schistosoma mansoni	tyrosine kinase	0.0313	0.3134	0.5223
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0319	0.3189	0.5314
Schistosoma mansoni	amine oxidase	0.0069	0.0615	0.1024
Toxoplasma gondii	histone lysine-specific demethylase	0.0069	0.0615	1
Schistosoma mansoni	tyrosine kinase	0.0011	0.0014	0.0023
Brugia malayi	Protein kinase domain containing protein	0.019	0.1865	0.3108
Brugia malayi	beta-lactamase family protein	0.0041	0.0324	0.0541
Brugia malayi	Pre-SET motif family protein	0.0035	0.0264	0.0439
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0069	0.0615	1
Schistosoma mansoni	tyrosine kinase	0.0258	0.2566	0.4276
Echinococcus multilocularis	insulin receptor	0.019	0.1865	0.3108
Echinococcus multilocularis	epidermal growth factor receptor	0.0319	0.3189	0.5314
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0264	0.0439
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.1343	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0002	0.0003
Brugia malayi	beta-lactamase family protein	0.0041	0.0324	0.0541
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0324	0.0541
Loa Loa (eye worm)	Smad1	0.001	0.0002	0.0003
Loa Loa (eye worm)	TK/FAK protein kinase	0.0261	0.2597	0.4328
Echinococcus granulosus	smad	0.001	0.0002	0.0003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0261	0.2592	0.253
Onchocerca volvulus		0.0041	0.0324	0.0244
Echinococcus multilocularis	Smad4	0.001	0.0002	0.0003
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.091	0.9289	1
Echinococcus multilocularis		0.0069	0.0615	0.1024
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0264	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0324	0.1734
Echinococcus multilocularis	neuroglian	0.0012	0.0025	0.0041
Brugia malayi	Furin-like cysteine rich region family protein	0.0591	0.6001	1
Mycobacterium ulcerans	oxidoreductase	0.0069	0.0615	0.03
Echinococcus granulosus	Smad4	0.001	0.0002	0.0003
Schistosoma mansoni	smad1 5 8 and	0.001	0.0002	0.0003
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0979	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0056	0.0093
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0324	0.0541
Brugia malayi	Protein kinase domain containing protein	0.0261	0.2597	0.4328
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0264	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0615	0.1024
Brugia malayi	MH1 domain containing protein	0.001	0.0002	0.0003
Schistosoma mansoni	Smad4	0.001	0.0002	0.0003
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0069	0.0615	0.5
Onchocerca volvulus		0.0041	0.0324	0.0244
Brugia malayi	MH2 domain containing protein	0.001	0.0002	0.0003
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0566	0.5744	0.6045
Schistosoma mansoni	tyrosine kinase	0.0313	0.3134	0.5223
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0156	0.1516	0.2526
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0541

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: CHEMBL553808

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 1047704