TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 244.715 | Formula: C12H17ClO3
H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCC1C(CC(=O)O)C=C(C1=O)Cl
InChi: 1S/C12H17ClO3/c1-2-3-4-5-9-8(7-11(14)15)6-10(13)12(9)16/h6,8-9H,2-5,7H2,1H3,(H,14,15)
InChiKey: LHCVFPRKRUQJTH-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 tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0332	0.0324
Mycobacterium leprae	conserved hypothetical protein	0.0075	0.0727	0.7059
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0327	0.4567	0.9687
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0332	0.29
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1863	0.3889
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0727	0.0681
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.0332	0.29
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.008	0.0796	0.075
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0153	0.0061
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0727	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0344	0.0297
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.103	0.1353
Trichomonas vaginalis	esterase, putative	0.0075	0.0727	0.5
Onchocerca volvulus		0.0075	0.0727	0.2685
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0885	0.8589
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.0332	0.3219
Brugia malayi	glutathione reductase	0.0037	0.0153	0.0223
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.0332	0.3219
Schistosoma mansoni	hypothetical protein	0.005	0.0344	0.0297
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0153	0.1922
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0332	1
Echinococcus multilocularis	tar DNA binding protein	0.0336	0.4714	0.4688
Mycobacterium tuberculosis	Probable lipase LipD	0.0075	0.0727	0.0907
Schistosoma mansoni	survival motor neuron protein	0.0048	0.031	0.0262
Schistosoma mansoni	hypothetical protein	0.005	0.0344	0.0297
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.103	0.1353
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1992	0.4165
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0161	0.0112
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0125	0.0077
Trypanosoma brucei	hypothetical protein, conserved	0.0075	0.0727	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1229	0.2531
Onchocerca volvulus		0.0049	0.0332	0.0139
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0344	0.0297
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.0796	1
Mycobacterium tuberculosis	Probable hydrolase	0.0075	0.0727	0.0907
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0727	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0344	0.0297
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0344	0.0634
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0727	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0075	0.0727	0.0907
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.008	0.0796	0.075
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0075	0.0727	0.0907
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0727	0.5
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0049	0.0614
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0727	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.4714	0.4688
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0885	0.1139
Trypanosoma brucei	trypanothione reductase	0.0037	0.0153	0.1535
Echinococcus granulosus	GPCR family 2	0.005	0.0344	0.0297
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0075	0.0727	0.0907
Mycobacterium leprae	Probable lipase LipE	0.0075	0.0727	0.7059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0318	0.0271
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.0332	0.29
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.103	0.1353
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0727	0.0907
Brugia malayi	hypothetical protein	0.0234	0.3152	0.6652
Schistosoma mansoni	microtubule-associated protein tau	0.0683	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.4714	0.4688
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0075	0.0727	0.1454
Brugia malayi	beta-lactamase family protein	0.0075	0.0727	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0332	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.0377	0.0392
Brugia malayi	beta-lactamase	0.0075	0.0727	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0332	0.0606
Brugia malayi	hypothetical protein	0.0149	0.1863	0.3889
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Mycobacterium ulcerans	hypothetical protein	0.0075	0.0727	0.8951
Schistosoma mansoni	hypothetical protein	0.0346	0.4869	0.4843
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.3152	0.3118
Mycobacterium tuberculosis	Probable esterase LipL	0.0075	0.0727	0.0907
Brugia malayi	hypothetical protein	0.0036	0.0125	0.0163
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0153	0.0223
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.0142	0.0045
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.0332	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0142	0.02
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0142	0.02
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0142	0.02
Mycobacterium ulcerans	beta-lactamase	0.0075	0.0727	0.8951
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0158	0.1992	0.4165
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.0332	0.0324
Loa Loa (eye worm)	hypothetical protein	0.005	0.0344	0.0634
Onchocerca volvulus		0.0075	0.0727	0.2685
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.0332	0.29
Schistosoma mansoni	hypothetical protein	0.0036	0.0125	0.0077
Mycobacterium tuberculosis	Probable lipase LipE	0.0075	0.0727	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0075	0.0727	0.8951
Schistosoma mansoni	hypothetical protein	0.0327	0.4567	0.4541
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0332	0.0606
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0075	0.0727	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0332	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Brugia malayi	RNA recognition motif domain containing protein	0.0336	0.4714	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0318	0.0271
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.4714	0.4688
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.031	0.056
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0332	0.0606
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.4714	0.4688
Leishmania major	hypothetical protein, conserved	0.0075	0.0727	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0075	0.0727	0.0681
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0885	0.1139
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Echinococcus multilocularis	GPCR, family 2	0.005	0.0344	0.0297
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0344	0.0634
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0479	0.6898	1
Echinococcus granulosus	snurportin 1	0.0327	0.4567	0.4541
Plasmodium falciparum	importin beta, putative	0.0031	0.0049	0.0614
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.3152	0.3118
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0318	0.0271
Brugia malayi	RNA binding protein	0.0336	0.4714	1
Loa Loa (eye worm)	TAR-binding protein	0.0336	0.4714	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0344	0.0297
Plasmodium vivax	hypothetical protein, conserved	0.0075	0.0727	0.9138
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.0377	0.0392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0318	0.0271
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.0377	0.033
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0885	0.1139
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0336	0.4714	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0885	0.1139
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.103	1
Loa Loa (eye worm)	beta-lactamase	0.0075	0.0727	0.1454
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0125	0.0077
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0125	0.0077
Brugia malayi	TAR-binding protein	0.0336	0.4714	1
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0153	0.1922
Toxoplasma gondii	ABC1 family protein	0.0075	0.0727	0.9138
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0318	0.0578
Onchocerca volvulus		0.0149	0.1863	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0332	0.29
Loa Loa (eye worm)	hypothetical protein	0.008	0.0796	0.1601
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0727	0.0907
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.0796	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0332	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.1229	0.2531
Echinococcus multilocularis	snurportin 1	0.0327	0.4567	0.4541
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.0332	0.29
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0332	0.3112
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.0377	0.3664
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0153	0.1922
Echinococcus multilocularis	microtubule associated protein 2	0.0683	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.0142	0.1785
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0075	0.0727	0.1454
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	0.5
Echinococcus multilocularis	geminin	0.0346	0.4869	0.4843
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Mycobacterium ulcerans	lipase LipD	0.0075	0.0727	0.8951
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0318	0.0271
Schistosoma mansoni	hypothetical protein	0.005	0.0344	0.0297
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.008	0.0796	0.7724
Plasmodium falciparum	glutathione reductase	0.0037	0.0153	0.1922
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0332	0.3112
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.0796	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0142	0.02
Brugia malayi	beta-lactamase family protein	0.0075	0.0727	0.1454
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0318	0.0578
Loa Loa (eye worm)	RNA binding protein	0.0336	0.4714	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0885	0.1139
Schistosoma mansoni	hypothetical protein	0.0108	0.1229	0.1186
Echinococcus granulosus	geminin	0.0346	0.4869	0.4843
Onchocerca volvulus		0.0075	0.0727	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0234	0.3152	0.6652
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0142	0.02
Schistosoma mansoni	hypothetical protein	0.0346	0.4869	0.4843
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0158	0.1992	0.4165
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0332	0.3112
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0332	0.29
Schistosoma mansoni	hypothetical protein	0.0048	0.031	0.0262
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0885	0.1139
Schistosoma mansoni	hypothetical protein	0.005	0.0344	0.0297
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0049	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0727	0.1454
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.0377	0.033
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0153	0.0223
Brugia malayi	RNA, U transporter 1	0.0087	0.091	0.1846
Schistosoma mansoni	peptidase Clp (S14 family)	0.008	0.0796	0.075
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0727	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0727	0.0681
Brugia malayi	Probable ClpP-like protease	0.008	0.0796	0.1601
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0318	0.0271
Mycobacterium ulcerans	hypothetical protein	0.0049	0.0332	0.29
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0158	0.1992	0.4165
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0332	0.0606
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0344	0.0634
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.0142	0.1785
Mycobacterium ulcerans	esterase/lipase LipP	0.0075	0.0727	0.8951
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0727	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.0796	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0727	1
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.4714	0.4688
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0318	0.0271
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0161	0.0112
Echinococcus granulosus	tar DNA binding protein	0.0336	0.4714	0.4688
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0153	0.1922
Brugia malayi	Thioredoxin reductase	0.0037	0.0153	0.0223

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: CHEMBL507734

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 999781