TDR Targets

Basic information

Technical information

TDR Targets ID: 187607
Name: 6,8-diamino-2-(4-aminophenyl)-7-hydroxychrome n-4-one
MW: 283.282 | Formula: C15H13N3O3
H donors: 4 H acceptors: 2 LogP: 0.78 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)c1cc(=O)c2c(o1)c(N)c(c(c2)N)O
InChi: 1S/C15H13N3O3/c16-8-3-1-7(2-4-8)12-6-11(19)9-5-10(17)14(20)13(18)15(9)21-12/h1-6,20H,16-18H2
InChiKey: RYLYCHMZQAPFGJ-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

6,8-diamino-2-(4-aminophenyl)-7-hydroxy-chromen-4-one
6,8-diamino-2-(4-aminophenyl)-7-hydroxy-1-benzopyran-4-one
2-(4-aminophenyl)-6,8-bis(azanyl)-7-hydroxy-chromen-4-one
6,8-diamino-2-(4-aminophenyl)-7-hydroxy-chromone
6,8-diamino-2-(4-aminophenyl)-7-hydroxy-4-chromenone

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
Onchocerca volvulus		0.0042	0.0157	0.0553
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0157	0.1065
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0498	0.2833	1
Brugia malayi	hypothetical protein	0.0285	0.1587	0.5601
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0498	0.2833	1
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1587	0.5601
Echinococcus multilocularis	peregrin	0.0028	0.0078	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0271	0.0957
Brugia malayi	hypothetical protein	0.0285	0.1587	0.5601
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.0453	1
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0002	0.0007
Onchocerca volvulus	Alhambra homolog	0.0028	0.0078	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1587	0.5601
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0112	0.2448
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0498	0.2833	1
Onchocerca volvulus		0.0498	0.2833	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0157	0.1065
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0285	0.1587	0.5601
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0078	0.0274
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0157	1
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0271	0.0269
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0157	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0015	0	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0266	0.1473	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.0453	0.0451
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0157	0.1065
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0105	0.0372
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0195	0.0687
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0157	0.0155
Brugia malayi	hypothetical protein	0.0212	0.1159	0.4091
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0157	0.4557
Leishmania major	hypothetical protein, conserved	0.0042	0.0157	1
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0078	0.5
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0078	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1159	0.4091
Echinococcus granulosus	peregrin	0.0028	0.0078	0.1679
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0157	0.1065
Onchocerca volvulus		0.0285	0.1587	0.5601
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.0342	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0271	0.7917
Brugia malayi	jmjC domain containing protein	0.0092	0.0453	0.1598
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0157	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0157	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0002	0.0007
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0157	0.1065
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0142	0.3111
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0157	1
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0271	0.0957
Brugia malayi	beta-lactamase family protein	0.0042	0.0157	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Brugia malayi	Bromodomain containing protein	0.0028	0.0078	0.0274
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0271	0.7917
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0285	0.1587	0.5601
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0195	0.0687
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0271	0.7917
Giardia lamblia	PHD finger protein 15	0.0028	0.0078	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0002	0.0007
Brugia malayi	PHD-finger family protein	0.0028	0.0078	0.0274
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0253	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1159	0.4091
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0157	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1587	0.5601
Trichomonas vaginalis	conserved hypothetical protein	0.0212	0.1159	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0157	0.1065
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0112	0.011
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0157	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0195	0.069
Loa Loa (eye worm)	hypothetical protein	0.0498	0.2833	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0078	0.2227
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0157	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0285	0.1587	0.5601
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1159	0.4091
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0195	0.0687
Onchocerca volvulus		0.0498	0.2833	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0157	1
Onchocerca volvulus		0.0498	0.2833	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Onchocerca volvulus		0.0498	0.2833	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0157	0.5
Brugia malayi	beta-lactamase family protein	0.0042	0.0157	0.0553
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0271	0.0957
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0271	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0105	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0112	0.3248
Onchocerca volvulus		0.0042	0.0157	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1587	0.5601
Brugia malayi	TAR-binding protein	0.0061	0.0271	0.0957
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0195	0.0687
Onchocerca volvulus		0.0498	0.2833	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0112	0.0396
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0157	0.5
Onchocerca volvulus		0.0212	0.1159	0.4091
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0157	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0157	0.0553
Onchocerca volvulus		0.0498	0.2833	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0157	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1587	0.5601
Brugia malayi	RNA binding protein	0.0061	0.0271	0.0957
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0078	0.0274
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0112	0.3248
Onchocerca volvulus		0.0498	0.2833	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0157	0.5
Schistosoma mansoni	hypothetical protein	0.0028	0.0078	0.2227
Entamoeba histolytica	acyl-coA synthetase, putative	0.0015	0	0.5
Brugia malayi	beta-lactamase	0.0042	0.0157	0.0553
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0157	0.1065
Brugia malayi	jmjC domain containing protein	0.0034	0.0112	0.0396
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0285	0.1587	0.5601
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0285	0.1587	0.5601
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0002	0.0007
Mycobacterium ulcerans	lipase LipD	0.0042	0.0157	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0498	0.2833	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0157	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0015	0	0.5
Onchocerca volvulus		0.0285	0.1587	0.5601
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0078	0.1679
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0271	0.5968
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0271	0.7917
Schistosoma mansoni	hypothetical protein	0.0033	0.0105	0.3046
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0157	0.1065
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0157	0.1065
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0271	0.7917
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0157	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0157	0.4557
Onchocerca volvulus		0.0042	0.0157	0.0553
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0142	0.014
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1159	0.4091
Brugia malayi	LBP/BPI	0.0212	0.1159	0.4091
Onchocerca volvulus		0.0498	0.2833	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 50 uM	Inhibition of in vitro protein-tyrosine kinase activity of p60v-src enzyme in presence of 5 uM ATP.	ChEMBL.	7932563
IC50 (binding)	> 50 uM	Inhibition of in vitro protein-tyrosine kinase activity of p60v-src enzyme in presence of 5 uM ATP.	ChEMBL.	7932563
IC50 (binding)	> 100 uM	Inhibition of in vitro activity of EGFr enzyme from A431 cells in presence of 5 uM ATP	ChEMBL.	7932563
IC50 (binding)	> 100 uM	Inhibition of in vitro activity of EGFr enzyme from A431 cells in presence of 5 uM ATP	ChEMBL.	7932563
IC50 (binding)	= 754 uM	In vitro inhibition of protein-tyrosine activity of p56lck enzyme in presence of 50 uM ATP	ChEMBL.	7932563
IC50 (binding)	= 754 uM	In vitro inhibition of protein-tyrosine activity of p56lck enzyme in presence of 50 uM ATP	ChEMBL.	7932563

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: CHEMBL115601
PubChem: 10356450

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 187607