TDR Targets

Basic information

Technical information

TDR Targets ID: 433087
Name: 3-[7-amino-3-(3-hydroxyphenyl)quinoxalin-2-yl ]phenol
MW: 329.352 | Formula: C20H15N3O2
H donors: 3 H acceptors: 4 LogP: 3.14 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc(c1)c1nc2cc(N)ccc2nc1c1cccc(c1)O
InChi: 1S/C20H15N3O2/c21-14-7-8-17-18(11-14)23-20(13-4-2-6-16(25)10-13)19(22-17)12-3-1-5-15(24)9-12/h1-11,24-25H,21H2
InChiKey: ABRXGDFENWZLCW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-[7-amino-3-(3-hydroxyphenyl)-2-quinoxalinyl]phenol
3-[7-azanyl-3-(3-hydroxyphenyl)quinoxalin-2-yl]phenol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444

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	target of rapamycin (TOR) kinase 1, putative	0.0208	0.0549	0.149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.0282	0.4878
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0087	0.0127	0.1925
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0208	0.0549	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0138	0.0304	0.5312
Echinococcus granulosus	serine protein kinase ATM	0.0119	0.024	0.0214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0058	0.0027	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0087	0.0127	0.03
Echinococcus multilocularis	microtubule associated protein 2	0.06	0.1909	0.1887
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0181	0.0455	0.0429
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0164	0.0394	0.0368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0102	0.0181	0.2952
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0208	0.0549	1
Giardia lamblia	GTOR	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0058	0.0027	0.049
Echinococcus granulosus	microtubule associated protein 2	0.06	0.1909	0.1887
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0208	0.0549	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.009	0.1632
Trypanosoma cruzi	hypothetical protein, conserved	0.1025	0.338	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0087	0.0127	0.1925
Schistosoma mansoni	hypothetical protein	0.0252	0.0701	0.3585
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0181	0.0455	0.8199
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0208	0.0549	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0087	0.0127	0.1925
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0181	0.0455	0.8199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0119	0.024	0.0637
Echinococcus multilocularis	serine protein kinase ATM	0.0119	0.024	0.0214
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0181	0.0455	0.8199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Trypanosoma cruzi	target of rapamycin kinase 3	0.0208	0.0549	0.1557
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0208	0.0549	0.1557
Schistosoma mansoni	hypothetical protein	0.0089	0.0135	0.0576
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0208	0.0549	0.149
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0137	0.0301	0.5247
Schistosoma mansoni	microtubule-associated protein tau	0.06	0.1909	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0208	0.0549	0.1557
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0164	0.0394	0.0368
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0087	0.0127	0.1925
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0152	0.0354	0.6274
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0087	0.0127	0.1925
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0208	0.0549	0.0523
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0208	0.0549	0.149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0208	0.0549	0.149
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0181	0.0455	0.8199
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2934	1	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0108	0.02	0.2599
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0089	0.0135	0.0109
Entamoeba histolytica	hypothetical protein	0.0119	0.024	0.4089
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0208	0.0549	0.0523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0119	0.024	0.0214
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0208	0.0549	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0119	0.024	0.4089
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0119	0.024	0.0214
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0087	0.0127	0.1925
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0132	0.0286	0.4962
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0119	0.024	0.1134
Loa Loa (eye worm)	phosphatidylinositol 3	0.0208	0.0549	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0087	0.0127	0.1925
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.0286	0.4962
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.024	0.4089
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0208	0.0549	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0137	0.0301	0.5247
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0132	0.0286	0.4962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0131	0.0282	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0208	0.0549	1
Brugia malayi	FAT domain containing protein	0.0089	0.0135	0.2075
Trichomonas vaginalis	conserved hypothetical protein	0.0089	0.0135	0.2075
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.024	0.4089
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0181	0.0455	0.1277
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0181	0.0455	0.1277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0282	0.5129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0181	0.0455	0.8199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0119	0.024	0.1134
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0181	0.0455	0.0429
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0208	0.0549	0.2774
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0076	0.009	0.0187
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0131	0.0282	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.009	0.1201
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0208	0.0549	0.0523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0208	0.0549	0.1557
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0208	0.0549	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.009	0.1201
Entamoeba histolytica	protein kinase rad3, putative	0.0119	0.024	0.4089
Leishmania major	hypothetical protein, conserved	0.1068	0.353	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0087	0.0127	0.0534
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0181	0.0455	0.2275
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0208	0.0549	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.024	0.4378
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0208	0.0549	0.1557
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.024	0.4089
Toxoplasma gondii	FATC domain-containing protein	0.0119	0.024	0.4089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0208	0.0549	0.149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0208	0.0549	0.0523
Loa Loa (eye worm)	phosphatidylinositol 3	0.0152	0.0354	0.6456
Trichomonas vaginalis	conserved hypothetical protein	0.0132	0.0286	0.4962
Loa Loa (eye worm)	phosphatidylinositol 3	0.0208	0.0549	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0208	0.0549	0.2774
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0119	0.024	0.0637
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0058	0.0027	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0549	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0286	0.5209
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0089	0.0135	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0135	0.2463
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0119	0.024	0.4089
Entamoeba histolytica	hypothetical protein	0.0152	0.0354	0.6274

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 17 uM	Inhibition of recombinant PI3Kgamma	ChEMBL.	17685602
IC50 (binding)	= 17 uM	Inhibition of recombinant PI3Kgamma	ChEMBL.	17685602

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: 17755495

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 433087