TDR Targets

Basic information

Technical information

TDR Targets ID: 1608374
Name: 2-Methyl-1,3-benzoxazepin-5-ol
MW: 175.184 | Formula: C10H9NO2
H donors: 1 H acceptors: 1 LogP: 1.25 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: CC1=NC=C(c2c(O1)cccc2)O
InChi: 1S/C10H9NO2/c1-7-11-6-9(12)8-4-2-3-5-10(8)13-7/h2-6,12H,1H3
InChiKey: BRJXQLDKTUBNFR-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

NCI60_016120
AIDS-138921
AIDS138921
NSC646708

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
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0134	0.0532	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.038	0.1742	0.174
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0189	0.0309
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0189	0.0187
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0899	0.4293	0.7018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0134	0.0532	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0532	1
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0376	0.1719	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0266	0.4901
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0189	0.0187
Toxoplasma gondii	target of rapamycin (TOR), putative	0.01	0.0363	1
Echinococcus multilocularis	tumor protein p63	0.0344	0.1562	0.156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0266	0.4901
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0189	0.0304
Schistosoma mansoni	hypothetical protein	0.0071	0.022	0.0218
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0376	0.1719	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0189	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0002	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0049	0.0729
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Loa Loa (eye worm)	phosphatidylinositol 3	0.0134	0.0532	0.0869
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0189	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1719	0.281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0532	1
Onchocerca volvulus		0.005	0.012	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0002	0.0004
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.038	0.1742	0.174
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.022	0.0218
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.038	0.1742	0.2847
Schistosoma mansoni	hypothetical protein	0.0376	0.1719	0.1717
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0189	0.0187
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0045	0.0093	0.0091
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0056	0.0146	0.0325
Onchocerca volvulus		0.0376	0.1719	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0134	0.0532	0.0863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0266	0.4901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4171
Brugia malayi	Protein kinase domain containing protein	0.038	0.1742	0.2834
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.022	0.0218
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0063	0.0184	0.0558
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0134	0.0532	0.2697
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Schistosoma mansoni	serine/threonine protein kinase	0.038	0.1742	0.174
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0037	0.0056
Brugia malayi	RNA binding protein	0.0064	0.0189	0.0304
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0045	0.0093	0.0091
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.012	0.0117
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4161
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0134	0.0532	1
Schistosoma mansoni	vam6/vps39 related	0.0376	0.1719	0.1717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0315	0.5829
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0093	0.0148
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0189	0.0187
Schistosoma mansoni	rap gtpase-activating protein	0.0376	0.1719	0.1717
Loa Loa (eye worm)	hypothetical protein	0.005	0.012	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0262	0.4826
Loa Loa (eye worm)	transcription factor SMAD2	0.0239	0.1048	0.1714
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.022	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0093	0.1579
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.038	0.1742	0.174
Brugia malayi	hypothetical protein	0.0071	0.022	0.0355
Giardia lamblia	GTOR	0.0134	0.0532	0.5
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0376	0.1719	0.1717
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0113	0.018
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0093	0.0153
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0134	0.0532	0.2697
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0087	0.03	0.5555
Schistosoma mansoni	hypothetical protein	0.0033	0.0037	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4161
Schistosoma mansoni	protein kinase	0.038	0.1742	0.174
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.038	0.1742	0.174
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0002	0.0004
Echinococcus multilocularis		0.0899	0.4293	0.4292
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1719	0.281
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0189	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0397	0.7408
Brugia malayi	hypothetical protein	0.0376	0.1719	0.2797
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0532	1
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.127	0.6117	0.6116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4171
Brugia malayi	probable protein kinase	0.1275	0.614	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4171
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0376	0.1719	1
Echinococcus granulosus	Vam6:Vps39 protein	0.0376	0.1719	0.1717
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0134	0.0532	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0134	0.0532	0.2697
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.0376	0.1719	0.1717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0228	0.4171
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0113	0.0184
Schistosoma mansoni	protein kinase	0.0899	0.4293	0.4292
Echinococcus multilocularis	microtubule associated protein 2	0.206	1	1
Schistosoma mansoni	protein kinase	0.1275	0.614	0.6139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0397	0.7408
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.038	0.1742	0.174
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0011	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0093	0.1579
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0189	0.0187
Echinococcus granulosus	protein kinase	0.0899	0.4293	0.4292
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0037	0.006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0397	0.7408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0093	0.1579
Brugia malayi	Temporarily assigned gene name protein 59	0.0376	0.1719	0.2797
Brugia malayi	TAR-binding protein	0.0064	0.0189	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0093	0.1579
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0113	0.0184
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0376	0.1719	0.1717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0262	0.4826
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0113	0.018
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0189	0.0309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0363	0.6753
Loa Loa (eye worm)	MH2 domain-containing protein	0.0239	0.1048	0.1714
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.0376	0.1719	0.1717
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0134	0.0532	0.2697
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0397	0.7408
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0134	0.0532	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.038	0.1742	0.174
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0107	0.0397	0.6934
Echinococcus granulosus	tumor protein p63	0.0344	0.1562	0.156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0397	0.7408
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1719	0.281
Brugia malayi	MH2 domain containing protein	0.0239	0.1048	0.1704
Schistosoma mansoni	serine/threonine protein kinase	0.038	0.1742	0.174
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0134	0.0532	0.053
Schistosoma mansoni	microtubule-associated protein tau	0.206	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0011
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0045	0.0093	0.0091
Loa Loa (eye worm)	hypothetical protein	0.127	0.6117	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0107	0.0397	0.187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.0435	0.8147
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0134	0.0532	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0093	0.1579
Trypanosoma cruzi	target of rapamycin kinase 3	0.0107	0.0397	0.187

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.068	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1985957

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 1608374