TDR Targets

Basic information

Technical information

TDR Targets ID: 1603174
Name: NCI60_017421
MW: 270.28 | Formula: C16H14O4
H donors: 0 H acceptors: 2 LogP: 1.47 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COC1=CC(=O)C2C(C1=O)[C@H]1[C@@H]2COc2c1cccc2
InChi: 1S/C16H14O4/c1-19-12-6-10(17)14-9-7-20-11-5-3-2-4-8(11)13(9)15(14)16(12)18/h2-6,9,13-15H,7H2,1H3/t9-,13+,14?,15?/m0/s1
InChiKey: YTIXKXBJSQXELS-VXWAXNFESA-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

No synonyms found for this compound

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		0.0305	0.1382	0.2926
Echinococcus multilocularis	SWI:SNF matrix associated	0.0857	0.4355	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Leishmania major	hypothetical protein, conserved	0.0305	0.1382	1
Plasmodium vivax	hypothetical protein, conserved	0.0857	0.4355	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0305	0.1382	0.3172
Echinococcus granulosus	SWI:SNF matrix associated	0.0857	0.4355	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0077	0.0152	0.0152
Schistosoma mansoni	cathepsin D (A01 family)	0.0077	0.0152	0.0152
Plasmodium vivax	aspartyl proteinase, putative	0.0077	0.0152	0.0349
Brugia malayi	brahma associated protein 60 kDa	0.0857	0.4355	1
Plasmodium falciparum	plasmepsin IX	0.0077	0.0152	0.0349
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0305	0.1382	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0305	0.1382	0.3172
Plasmodium falciparum	plasmepsin VIII, putative	0.0077	0.0152	0.0349
Giardia lamblia	Kinase, CMGC CDK	0.0048	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1382	0.3172
Brugia malayi	Pepsin A precursor	0.0077	0.0152	0.0349
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0305	0.1382	0.3172
Echinococcus granulosus	ring and YY1 binding protein	0.0305	0.1382	0.3172
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0305	0.1382	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0077	0.0152	0.0349
Leishmania major	hypothetical protein, conserved	0.0305	0.1382	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Plasmodium vivax	plasmepsin V, putative	0.0077	0.0152	0.0349
Plasmodium vivax	aspartyl protease, putative	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0479	0.1099
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0077	0.0152	0.0349
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0305	0.1382	0.3172
Schistosoma mansoni	fusion	0.0305	0.1382	0.1382
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0152	0.0349
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0305	0.1382	0.3172
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0305	0.1382	0.2926
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0305	0.1382	1
Schistosoma mansoni	RNA binding protein	0.0305	0.1382	0.1382
Echinococcus multilocularis	SWI:SNF matrix associated	0.0857	0.4355	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0077	0.0152	0.0349
Plasmodium falciparum	plasmepsin VI	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1382	0.3172
Brugia malayi	YY1-associated factor 2	0.0305	0.1382	0.3172
Toxoplasma gondii	aspartyl protease ASP1	0.0077	0.0152	0.0349
Brugia malayi	hypothetical protein	0.0137	0.0479	0.1099
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0305	0.1382	0.3172
Chlamydia trachomatis	DNA topoisomerase I	0.0857	0.4355	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0152	0.0349
Toxoplasma gondii	aspartyl protease ASP3	0.0077	0.0152	0.0349
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0857	0.4355	1
Plasmodium falciparum	plasmepsin IV	0.0077	0.0152	0.0349
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0857	0.4355	1
Plasmodium falciparum	plasmepsin VII	0.0077	0.0152	0.0349
Plasmodium vivax	aspartyl protease, putative	0.0077	0.0152	0.0349
Trichomonas vaginalis	conserved hypothetical protein	0.0857	0.4355	1
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1382	0.3172
Leishmania major	hypothetical protein, conserved	0.0305	0.1382	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0305	0.1382	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0077	0.0152	0.0349
Schistosoma mansoni	hypothetical protein	0.0857	0.4355	0.4355
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0857	0.4355	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0857	0.4355	1
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0287	0.1283	0.2947
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0287	0.1283	0.2947
Schistosoma mansoni	hypothetical protein	0.0857	0.4355	0.4355
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0287	0.1283	0.1283
Toxoplasma gondii	aspartyl protease	0.0077	0.0152	0.0349
Echinococcus multilocularis	SWI:SNF matrix associated	0.0857	0.4355	1
Brugia malayi	hypothetical protein	0.0077	0.0152	0.0349
Plasmodium falciparum	plasmepsin I	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0152	0.0349
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0857	0.4355	1
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1382	0.3172
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Echinococcus granulosus	zinc finger protein Ran binding	0.0305	0.1382	0.3172
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1283	0.2947
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0077	0.0152	0.0349
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0	0.5
Onchocerca volvulus		0.0857	0.4355	1
Brugia malayi	brahma associated protein 60 kDa	0.0857	0.4355	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Plasmodium vivax	aspartyl protease, putative	0.0077	0.0152	0.0349
Plasmodium falciparum	plasmepsin V	0.0077	0.0152	0.0349
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0077	0.0152	0.0349
Brugia malayi	aspartic protease BmAsp-2, identical	0.0077	0.0152	0.0349
Brugia malayi	aspartic protease BmAsp-1, identical	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0479	0.1099
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0305	0.1382	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0305	0.1382	0.3172
Plasmodium vivax	aspartyl proteinase, putative	0.0077	0.0152	0.0349
Trypanosoma brucei	hypothetical protein, conserved	0.0305	0.1382	1
Giardia lamblia	Kinase, CMGC CDK	0.0048	0	0.5
Loa Loa (eye worm)	aspartyl protease 6	0.0077	0.0152	0.0349
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0857	0.4355	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0305	0.1382	0.1382
Plasmodium falciparum	plasmepsin III	0.0077	0.0152	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1382	0.3172
Onchocerca volvulus		0.0305	0.1382	0.2926
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0305	0.1382	0.3172
Onchocerca volvulus		0.0305	0.1382	0.2926
Echinococcus multilocularis	zinc finger protein Ran binding	0.0305	0.1382	0.3172
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0305	0.1382	0.3172
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0077	0.0152	0.0349
Toxoplasma gondii	ran binding protein	0.0305	0.1382	0.3172
Plasmodium falciparum	plasmepsin II	0.0077	0.0152	0.0349
Trypanosoma cruzi	hypothetical protein, conserved	0.0305	0.1382	1
Leishmania major	hypothetical protein, conserved	0.0305	0.1382	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0857	0.4355	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0305	0.1382	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0305	0.1382	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0305	0.1382	1
Chlamydia trachomatis	SWIB complex protein	0.0857	0.4355	0.5
Schistosoma mansoni	hypothetical protein	0.0857	0.4355	0.4355
Plasmodium falciparum	plasmepsin X	0.0077	0.0152	0.0349
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0857	0.4355	1
Loa Loa (eye worm)	brahma associated protein	0.0857	0.4355	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0305	0.1382	1
Schistosoma mansoni	zinc finger protein	0.0305	0.1382	0.1382
Brugia malayi	hypothetical protein	0.0077	0.0152	0.0349
Onchocerca volvulus		0.0305	0.1382	0.2926
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0305	0.1382	1
Plasmodium vivax	plasmepsin IV, putative	0.0077	0.0152	0.0349
Schistosoma mansoni	hypothetical protein	0.0305	0.1382	0.1382
Leishmania major	hypothetical protein, conserved	0.0305	0.1382	1
Trypanosoma brucei	hypothetical protein, conserved	0.0305	0.1382	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0305	0.1382	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0305	0.1382	0.3172
Schistosoma mansoni	brg-1 associated factor	0.0857	0.4355	0.4355
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0857	0.4355	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0305	0.1382	0.3172
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0077	0.0152	0.0152

Activities

Activity type	Activity value	Assay description	Source	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 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 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 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 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 SK-MEL-5 Melanoma 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
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma 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: CHEMBL1990771

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 1603174