TDR Targets

Basic information

Technical information

TDR Targets ID: 310563
Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid
MW: 192.211 | Formula: C11H12O3
H donors: 1 H acceptors: 2 LogP: 2.32 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)COc1ccc2c(c1)CCC2
InChi: 1S/C11H12O3/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)
InChiKey: VJJPTBBOPNGSRR-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

2-indan-5-yloxyacetic acid
2-(5-indanyloxy)acetic acid
2-(2,3-dihydro-1H-inden-5-yloxy)ethanoic acid
Enamine_005553
((2,3-Dihydro-1H-inden-5-yl)oxy)acetic acid
4-06-00-03830 (Beilstein Handbook Reference)
5-Indanoxyacetic acid
ACETIC ACID, (5-INDANYLOXY)-
Acetic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)- (9CI)
BRN 2560373
SBB004478
(Indan-5-yloxy)-acetic acid
BAS 13531838

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
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Entamoeba histolytica	cysteine proteinase, putative	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Brugia malayi	Papain family cysteine protease containing protein	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.1534	0.0776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Toxoplasma gondii	cathepsin CPL	0.0205	0.4821	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0205	0.4821	0.4358
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.1534	0.0776
Giardia lamblia	Cathepsin B precursor	0.0126	0.0822	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Loa Loa (eye worm)	ctsf protein	0.0205	0.4821	0.4358
Schistosoma mansoni	cathepsin F (C01 family)	0.0205	0.4821	0.4821
Brugia malayi	Cathepsin L-like precursor	0.014	0.1534	0.1534
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0205	0.4821	0.4821
Onchocerca volvulus		0.0205	0.4821	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0205	0.4821	0.4821
Onchocerca volvulus		0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Entamoeba histolytica	cysteine proteinase, putative	0.0205	0.4821	1
Plasmodium vivax	vivapain-2	0.0205	0.4821	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0205	0.4821	0.4358
Echinococcus multilocularis	cathepsin L cysteine protease	0.0205	0.4821	0.4821
Trypanosoma cruzi	cruzipain precursor, putative	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Echinococcus granulosus	cathepsin b	0.0308	1	1
Echinococcus granulosus	cathepsin l1	0.014	0.1534	0.1534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0126	0.0822	0.1705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0126	0.0822	0.1705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Giardia lamblia	Cathepsin B precursor	0.0126	0.0822	0.5
Loa Loa (eye worm)	cysteine protease	0.0205	0.4821	0.4358
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Onchocerca volvulus		0.0205	0.4821	1
Onchocerca volvulus	Cathepsin L homolog	0.0205	0.4821	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.014	0.1534	0.1534
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0205	0.4821	0.4821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.014	0.1534	0.3182
Loa Loa (eye worm)	hypothetical protein	0.014	0.1534	0.0776
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0205	0.4821	1
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.4821	0.4821
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Onchocerca volvulus	Cathepsin F homolog	0.0205	0.4821	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.4821	0.4821
Echinococcus granulosus	cathepsin l1	0.0205	0.4821	0.4821
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0205	0.4821	0.4821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Giardia lamblia	Cathepsin B precursor	0.0126	0.0822	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Echinococcus multilocularis	cysteine protease	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.014	0.1534	0.3182
Leishmania major	cathepsin L-like protease	0.0205	0.4821	1
Brugia malayi	Cathepsin L-like precursor	0.014	0.1534	0.1534
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.4821	0.4821
Onchocerca volvulus		0.0205	0.4821	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0205	0.4821	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Loa Loa (eye worm)	hypothetical protein	0.0205	0.4821	0.4358
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Schistosoma mansoni	cathepsin F (C01 family)	0.014	0.1534	0.1534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Onchocerca volvulus		0.0205	0.4821	1
Loa Loa (eye worm)	hypothetical protein	0.0308	1	1
Loa Loa (eye worm)	fibroinase	0.0205	0.4821	0.4358
Brugia malayi	cathepsin L-like precursor	0.014	0.1534	0.1534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Plasmodium vivax	vivapain-2	0.0205	0.4821	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0205	0.4821	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Onchocerca volvulus		0.0205	0.4821	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0126	0.0822	0.0822
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.4821	1
Entamoeba histolytica	cysteine protease, putative	0.0205	0.4821	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0205	0.4821	0.4821
Leishmania major	cysteine peptidase A (CPA)	0.0205	0.4821	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0126	0.0822	0.0822
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.014	0.1534	0.1534
Echinococcus multilocularis	cathepsin L cysteine protease	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Echinococcus multilocularis	cysteine protease	0.0205	0.4821	0.4821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.4821	1
Onchocerca volvulus		0.0205	0.4821	1
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.4821	1
Entamoeba histolytica	cysteine proteinase, putative	0.014	0.1534	0.3182
Echinococcus multilocularis	cathepsin b	0.0308	1	1
Brugia malayi	Cathepsin L-like precursor	0.0205	0.4821	0.4821
Echinococcus multilocularis	cathepsin b	0.0308	1	1
Echinococcus granulosus	cathepsin b	0.0308	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0308	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0308	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Solubility (ADMET)	= 17.51 g dl-1	Solubility of Deoxyhaemoglobin S (dHbS) concentration after addition dithionite as control	ChEMBL.	6747995
Solubility (ADMET)	= 23.33 g dl-1	Solubility of Haemoglobin S (HbS) concentration after addition of acid and dithionite	ChEMBL.	6747995
Solubility ratio (ADMET)	= 1.054	Solubility ratio ([HbS+drug (5 mM)]/[HbS-drug])	ChEMBL.	6747995
Solubility ratio (ADMET)	= 1.134	Solubility ratio ([HbS+drug (10 mM)]/[HbS-drug])	ChEMBL.	6747995
Solubility ratio (ADMET)	= 1.247	Solubility ratio ([HbS+drug (20 mM)]/[HbS-drug]	ChEMBL.	6747995
Solubility ratio (ADMET)	= 1.322	Solubility ratio ([HbS+drug (40 mM)]/[HbS-drug])	ChEMBL.	6747995

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

PubChem: 15878

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 310563