TDR Targets

Basic information

Technical information

TDR Targets ID: 1333946
Name: (2S)-2,3-dihydro-1H-indole-2-carboxylic acid
MW: 163.173 | Formula: C9H9NO2
H donors: 2 H acceptors: 2 LogP: 1.57 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@@H]1Cc2c(N1)cccc2
InChi: 1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
InChiKey: QNRXNRGSOJZINA-QMMMGPOBSA-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

(2S)-indoline-2-carboxylic acid
(2S)-2-indolinecarboxylic acid
SR-01000637030-1
(S)-(−)-Indoline-2-carboxylic acid
346802_ALDRICH
MLS000849837
SMR000455855
CDS1_000178
DivK1c_001218
ST5405827
Maybridge1_002466

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055

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
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0824	0.9881	0.9881
Giardia lamblia	Prenyltransferase	0.0435	0.4957	0.7493
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0402	0.4536	0.7361
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0261	0.0318
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0691	0.8197	1
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0435	0.4957	0.8045
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0435	0.4957	0.8045
Trypanosoma brucei	squalene synthase, putative	0.0732	0.8713	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0291	0.3126	0.5073
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0151	0.1357	0.1357
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0291	0.3126	0.3126
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.024	0.2483	0.403
Leishmania major	lanosterol synthase, putative	0.0459	0.5261	0.6038
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.053	0.6162	0.6162
Schistosoma mansoni	peptidylglycine monooxygenase	0.0367	0.4094	0.4094
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0151	0.1357	0.2202
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.2366	0.384
Toxoplasma gondii	hypothetical protein	0.024	0.2483	0.5009
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0367	0.4094	0.4995
Loa Loa (eye worm)	hypothetical protein	0.0228	0.2335	0.2849
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0402	0.4536	0.7361
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0691	0.8197	0.8197
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0435	0.4957	0.8045
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0435	0.4957	0.569
Schistosoma mansoni	lozenge	0.0054	0.0132	0.0132
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0402	0.4536	0.5533
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0291	0.3126	0.3682
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0291	0.3126	0.3588
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1939	0.1939
Trypanosoma cruzi	hypothetical protein, conserved	0.0151	0.1357	0.1557
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0151	0.1357	0.2202
Onchocerca volvulus		0.0431	0.4905	1
Trypanosoma brucei	hypothetical protein, conserved	0.0291	0.3126	0.3588
Trypanosoma brucei	lanosterol synthase	0.061	0.7171	0.823
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0435	0.4957	0.8045
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0291	0.3126	0.3126
Onchocerca volvulus		0.0291	0.3126	0.5571
Trypanosoma cruzi	squalene synthase, putative	0.0732	0.8713	1
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0291	0.3126	0.3588
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0151	0.1357	0.2737
Echinococcus multilocularis	Squalene phytoene synthase	0.0228	0.2335	0.2335
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0291	0.3126	0.3588
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0291	0.3126	0.3814
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0435	0.4957	1
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1592	0.1592
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0435	0.4957	0.4957
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.053	0.6162	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0151	0.1357	0.1557
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0291	0.3126	0.3126
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0151	0.1357	0.1655
Leishmania major	farnesyltransferase beta subunit	0.0435	0.4957	0.569
Loa Loa (eye worm)	hypothetical protein	0.0691	0.8197	1
Loa Loa (eye worm)	hypothetical protein	0.0431	0.4905	0.5984
Trypanosoma cruzi	hypothetical protein, conserved	0.0291	0.3126	0.3588
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0291	0.3126	0.3588
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0291	0.3126	0.3814
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0291	0.3126	0.3588
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0402	0.4536	0.4536
Trypanosoma cruzi	phytoene synthase, putative	0.0228	0.2335	0.268
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0261	0.0261
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0151	0.1357	0.1557
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0186	0.1805	0.2203
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0228	0.2335	0.3602
Leishmania major	geranylgeranyltransferase, putative	0.0151	0.1357	0.1557
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.061	0.7171	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0261	0.0318
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0435	0.4957	0.8045
Mycobacterium ulcerans	phytoene synthase, CrtB	0.0228	0.2335	0.5
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0181	0.1736	0.2118
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.053	0.6162	0.7517
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1939	0.1939
Loa Loa (eye worm)	hypothetical protein	0.0431	0.4905	0.5984
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0402	0.4536	0.4536
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0261	0.0261
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0402	0.4536	0.4536
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.053	0.6162	1
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0367	0.4094	0.4094
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0284	0.3048	0.3519
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.053	0.6162	1
Toxoplasma gondii	hypothetical protein	0.0291	0.3126	0.6306
Giardia lamblia	Rab geranylgeranyltransferase	0.0291	0.3126	0.3682
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0261	0.0423
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.053	0.6162	1
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0435	0.4957	0.4957
Echinococcus multilocularis	expressed protein	0.0363	0.4047	0.4047
Trypanosoma cruzi	lanosterol synthase, putative	0.061	0.7171	0.823
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.1939	0.1939
Trypanosoma cruzi	hypothetical protein, conserved	0.0291	0.3126	0.3588
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0435	0.4957	0.4957
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.2012	0.2454
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.053	0.6162	0.6162
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0291	0.3126	0.3126
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0261	0.0299
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0435	0.4957	0.8045
Echinococcus multilocularis	Protein lozenge	0.0054	0.0132	0.0132
Echinococcus granulosus	expressed protein	0.0363	0.4047	0.4047
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0151	0.1357	0.1357
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0291	0.3126	0.3588
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0435	0.4957	0.6048
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0291	0.3126	0.3126
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0291	0.3126	0.5073
Brugia malayi	hypothetical protein	0.0431	0.4905	0.5984
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0691	0.8197	0.8197
Trypanosoma cruzi	lanosterol synthase, putative	0.061	0.7171	0.823
Onchocerca volvulus		0.0231	0.2366	0.3679
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0435	0.4957	0.6048
Loa Loa (eye worm)	runx1	0.0054	0.0132	0.0161
Loa Loa (eye worm)	hypothetical protein	0.053	0.6162	0.7517
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0402	0.4536	0.5533
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1592	0.1592
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0261	0.0299
Schistosoma mansoni	hypothetical protein	0.0228	0.2335	0.2335
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1357	0.1655
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.053	0.6162	1
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0435	0.4957	0.7493
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.1939	0.2365
Echinococcus granulosus	tm gpcr rhodopsin	0.0824	0.9881	0.9881
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0435	0.4957	0.569
Trypanosoma cruzi	squalene synthase, putative	0.0732	0.8713	1
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0291	0.3126	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1357	0.1655
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0151	0.1357	0.2202
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0261	0.0299
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0151	0.1357	0.2737
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0691	0.8197	0.8197
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0435	0.4957	0.8045
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0261	0.0299
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0435	0.4957	0.569
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.053	0.6162	0.7517
Leishmania major	squalene synthase, putative	0.0732	0.8713	1
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0435	0.4957	0.7493
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0291	0.3126	0.3682
Echinococcus granulosus	Squalene phytoene synthase	0.0228	0.2335	0.2335
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.053	0.6162	0.6162
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0367	0.4094	0.4995
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.1939	0.2365
Brugia malayi	Pre-SET motif family protein	0.0203	0.2012	0.2454
Giardia lamblia	Rab geranylgeranyltransferase	0.053	0.6162	1
Leishmania major	hypothetical protein, conserved	0.0228	0.2335	0.268
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.053	0.6162	1
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0402	0.4536	0.4536
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0151	0.1357	0.1557

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3548 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 0.3548 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	20.7865 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1423103

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 1333946