TDR Targets

Basic information

Technical information

TDR Targets ID: 789493
Name: 3-(1-hydroxy-1-oxopropan-2-yl)-1H-indole-2-ca rboxylic acid
MW: 233.22 | Formula: C12H11NO4
H donors: 3 H acceptors: 4 LogP: 1.76 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(c1c([nH]c2c1cccc2)C(=O)O)C
InChi: 1S/C12H11NO4/c1-6(11(14)15)9-7-4-2-3-5-8(7)13-10(9)12(16)17/h2-6,13H,1H3,(H,14,15)(H,16,17)
InChiKey: DRNTZAWHZFCHAU-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

3-(2-hydroxy-1-methyl-2-oxo-ethyl)-1H-indole-2-carboxylic acid
3-(2-hydroxy-1-methyl-2-oxoethyl)-1H-indole-2-carboxylic acid
3-(2-hydroxy-2-keto-1-methyl-ethyl)-1H-indole-2-carboxylic acid
3-(1-hydroxy-1-oxo-propan-2-yl)-1H-indole-2-carboxylic acid

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
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0078	0.2246	0.2463
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0442	0.0358
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.1158	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0127	0.4441	0.503
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2442	0.2712
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0442	0.0358
Onchocerca volvulus		0.0038	0.0442	0.0308
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.2442	0.2693
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0442	0.0308
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0442	0.0358
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0442	0.0358
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Plasmodium falciparum	metacaspase-like protein	0.0078	0.2246	0.9197
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2246	0.2481
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0032	0.0155	0.0019
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.2903	0.3273
Plasmodium vivax	hypothetical protein, conserved	0.0078	0.2246	0.9197
Echinococcus granulosus	nmda type glutamate receptor	0.0127	0.4441	0.5061
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.1158	0.5
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.2903	1
Onchocerca volvulus		0.0038	0.0442	0.0308
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0078	0.2246	0.2481
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0139	0.0061
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.2442	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.2903	0.3255
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2246	0.2481
Schistosoma mansoni	hypothetical protein	0.0038	0.043	0.0341
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0078	0.2246	0.9197
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.2442	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0078	0.2246	0.9197
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0442	0.0358
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0442	0.0308
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Plasmodium falciparum	metacaspase 1	0.0078	0.2246	0.9197
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2903	1
Echinococcus multilocularis	caspase 8	0.0078	0.2246	0.2463
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.022	0.863	1
Brugia malayi	small heat shock protein - nematode	0.0038	0.0442	0.0358
Trypanosoma brucei	polo-like protein kinase	0.0093	0.2903	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Schistosoma mansoni	glutamate receptor NMDA	0.0109	0.3613	0.4063
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.1158	0.1192
Onchocerca volvulus	Cell death protein 3 homolog	0.0078	0.2246	0.2137
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0442	0.0308
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Giardia lamblia	Kinase, PLK	0.0093	0.2903	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.321	0.3591
Brugia malayi	Probable ClpP-like protease	0.0083	0.2442	0.2712
Brugia malayi	hypothetical protein	0.0038	0.043	0.0344
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.3003	0.3389
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.2442	0.2693
Plasmodium vivax	SET domain protein, putative	0.0032	0.0139	0.0568
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Brugia malayi	Hsp20/alpha crystallin family protein	0.0038	0.0442	0.0358
Echinococcus multilocularis	caspase 3	0.0143	0.5163	0.5874
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.1158	0.4744
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.043	0.0341
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2903	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0442	0.0358
Echinococcus granulosus	caspase 3	0.0143	0.5163	0.5899
Brugia malayi	Small heat shock protein OV25-1	0.0038	0.0442	0.0358
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.2442	0.2737
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Onchocerca volvulus	Protein lethal(2)essential for life homolog	0.0038	0.0442	0.0308
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	0.5
Echinococcus granulosus	caspase	0.0222	0.8692	1
Onchocerca volvulus		0.0038	0.0442	0.0308
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0222	0.8692	1
Brugia malayi	Pre-SET motif family protein	0.022	0.863	1
Schistosoma mansoni	caspase-3 (C14 family)	0.0222	0.8692	1
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0222	0.8692	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Schistosoma mansoni	caspase-7 (C14 family)	0.0222	0.8692	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0078	0.2246	0.2463
Trichomonas vaginalis	set domain proteins, putative	0.0251	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.2903	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.2903	0.2803
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0078	0.2246	0.9197
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.321	0.363
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.043	0.04
Echinococcus granulosus	caspase 2	0.0078	0.2246	0.2509
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.043	0.0341
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2903	0.2295
Echinococcus multilocularis	caspase	0.0222	0.8692	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.2903	0.3232
Onchocerca volvulus		0.0038	0.0442	0.0308
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.2246	0.1581
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0442	0.0358
Echinococcus multilocularis	caspase 2	0.0078	0.2246	0.2463
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.2903	0.3255
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.2442	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0139	0.0568
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2903	0.3232
Echinococcus granulosus	caspase 8	0.0078	0.2246	0.2509
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.2442	1
Plasmodium vivax	metacaspase 1, putative	0.0078	0.2246	0.9197
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.1158	0.1246
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.3003	0.3349
Loa Loa (eye worm)	small heat shock protein	0.0038	0.0442	0.0358
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.2442	0.5
Brugia malayi	Cell death protein 3 precursor	0.0078	0.2246	0.2481
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0078	0.2246	0.1581
Brugia malayi	small heat shock protein 12.6, identical	0.0038	0.0442	0.0358
Schistosoma mansoni	kinase	0.0047	0.0844	0.0825

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 789493